2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide

C57H62N6O6 — CID 159841215

IUPAC2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide
SMILESC.C.C=CC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(C(=O)Cc4ccccc4)cc3)n2)CC1.C=CC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(C(O)c4ccccc4)cc3)n2)CC1
InChIInChI=1S/C28H27N3O3.C27H27N3O3.2CH4/c1-2-26(33)31-16-14-20(15-17-31)24-13-12-23(28(29)34)27(30-24)22-10-8-21(9-11-22)25(32)18-19-6-4-3-5-7-19;1-2-24(31)30-16-14-18(15-17-30)23-13-12-22(27(28)33)25(29-23)19-8-10-21(11-9-19)26(32)20-6-4-3-5-7-20;;/h2-13,20H,1,14-18H2,(H2,29,34);2-13,18,26,32H,1,14-17H2,(H2,28,33);2*1H4
InChIKeyNORUNQQYZGHEFI-UHFFFAOYSA-N
MW927.16 g/mol
LogP9.26
Rot. Bonds13

About 2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide

2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 159841215) has the molecular formula C57H62N6O6 and a molecular weight of 927.16 g/mol. Its IUPAC name is 2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID159841215
Molecular FormulaC57H62N6O6
Molecular Weight927.16 g/mol
Exact Mass926.47
IUPAC Name2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide
SMILESC.C.C=CC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(C(=O)Cc4ccccc4)cc3)n2)CC1.C=CC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(C(O)c4ccccc4)cc3)n2)CC1
InChIInChI=1S/C28H27N3O3.C27H27N3O3.2CH4/c1-2-26(33)31-16-14-20(15-17-31)24-13-12-23(28(29)34)27(30-24)22-10-8-21(9-11-22)25(32)18-19-6-4-3-5-7-19;1-2-24(31)30-16-14-18(15-17-30)23-13-12-22(27(28)33)25(29-23)19-8-10-21(11-9-19)26(32)20-6-4-3-5-7-20;;/h2-13,20H,1,14-18H2,(H2,29,34);2-13,18,26,32H,1,14-17H2,(H2,28,33);2*1H4
InChIKeyNORUNQQYZGHEFI-UHFFFAOYSA-N
XLogP9.26
TPSA189.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.16
LogP ≤ 59.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[4-[2,6-Bis[4-(hydroxymethyl)phenyl]pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45375928
1-[4-[4-[4-[2-[4-(2-Hydroxyethyl)phenyl]-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798420
1-[4-[4-[4-[2-[4-(3-Hydroxypropyl)phenyl]-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798423
1-[4-[4-[4-[2-[3-(Hydroxymethyl)phenyl]-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798428
1-[4-[4-[4-[2-[4-(Hydroxymethyl)phenyl]-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798429
6-(1-Acryloylpiperidin-4-yl)-2-(4-(hydroxy(phenyl)methyl)phenyl)nicotinamide
CID 117977269
[4-(5-{[4-(2-Phenylethyl)piperidin-1-yl]carbonyl}pyridin-2-yl)phenyl]methanol
CID 56918366
4-[[4-[2-[5-[4-[(4-Fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 58073402
4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 153337807
4-[[1-[[4-[3-(hydroxymethyl)-4-[[1-[[4-[5-(hydroxymethyl)-6-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 153337829
Tert-butyl 4-[5-carbamoyl-6-[4-[hydroxy(phenyl)methyl]phenyl]-2-pyridinyl]piperidine-1-carboxylate;2-[4-[hydroxy(phenyl)methyl]phenyl]-6-piperidin-4-ylpyridine-3-carboxamide;2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid
CID 168425879
4-[[1-[[4-[3-(hydroxymethyl)-4-[[2-oxo-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-2-oxopyrrolidin-3-yl]methyl]-N-methyl-2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 162613134

Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide (CID 159841215) is 2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide is C.C.C=CC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(C(=O)Cc4ccccc4)cc3)n2)CC1.C=CC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(C(O)c4ccccc4)cc3)n2)CC1.
What is the InChIKey of 2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is NORUNQQYZGHEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3.C27H27N3O3.2CH4/c1-2-26(33)31-16-14-20(15-17-31)24-13-12-23(28(29)34)27(30-24)22-10-8-21(9-11-22)25(32)18-19-6-4-3-5-7-19;1-2-24(31)30-16-14-18(15-17-30)23-13-12-22(27(28)33)25(29-23)19-8-10-21(11-9-19)26(32)20-6-4-3-5-7-20;;/h2-13,20H,1,14-18H2,(H2,29,34);2-13,18,26,32H,1,14-17H2,(H2,28,33);2*1H4.
What are the key properties of 2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide?
2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 927.16 g/mol, XLogP of 9.26, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(phenyl)methyl]phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide;methane;2-[4-(2-phenylacetyl)phenyl]-6-(1-prop-2-enoylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 159841215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).