N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide

C22H23N5O — CID 90519369

IUPACN-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1ccnc(NC(=O)C2CCCN(c3cc(-c4ccccc4)ncn3)C2)c1
InChIInChI=1S/C22H23N5O/c1-16-9-10-23-20(12-16)26-22(28)18-8-5-11-27(14-18)21-13-19(24-15-25-21)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,15,18H,5,8,11,14H2,1H3,(H,23,26,28)
InChIKeyMMNSVDULRRUVKO-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.70
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide

N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 90519369) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID90519369
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1ccnc(NC(=O)C2CCCN(c3cc(-c4ccccc4)ncn3)C2)c1
InChIInChI=1S/C22H23N5O/c1-16-9-10-23-20(12-16)26-22(28)18-8-5-11-27(14-18)21-13-19(24-15-25-21)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,15,18H,5,8,11,14H2,1H3,(H,23,26,28)
InChIKeyMMNSVDULRRUVKO-UHFFFAOYSA-N
XLogP3.70
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90520908
N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519264
N-(4-bromo-2-methylphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519272
1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 90519234
N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519275
N-(2,4-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519285
N-(5-chloro-2-methoxyphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519286
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519239
N-(4-anilinophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519895
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 90545442
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519241
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519353

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide (CID 90519369) is N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide is Cc1ccnc(NC(=O)C2CCCN(c3cc(-c4ccccc4)ncn3)C2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is MMNSVDULRRUVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-9-10-23-20(12-16)26-22(28)18-8-5-11-27(14-18)21-13-19(24-15-25-21)17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,15,18H,5,8,11,14H2,1H3,(H,23,26,28).
What are the key properties of N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90519369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).