6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide

C26H31N5O2 — CID 118038731

IUPAC6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCC=C(c2ccc(C(N)=O)c(Nc3ccc(CCN4CCCC4)cc3)n2)C1
InChIInChI=1S/C26H31N5O2/c1-2-24(32)31-16-5-6-20(18-31)23-12-11-22(25(27)33)26(29-23)28-21-9-7-19(8-10-21)13-17-30-14-3-4-15-30/h2,6-12H,1,3-5,13-18H2,(H2,27,33)(H,28,29)
InChIKeyJQKZVDGLVBIIFD-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.36
Rot. Bonds8

About 6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide

6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide (PubChem CID 118038731) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide
PubChem CID118038731
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCC=C(c2ccc(C(N)=O)c(Nc3ccc(CCN4CCCC4)cc3)n2)C1
InChIInChI=1S/C26H31N5O2/c1-2-24(32)31-16-5-6-20(18-31)23-12-11-22(25(27)33)26(29-23)28-21-9-7-19(8-10-21)13-17-30-14-3-4-15-30/h2,6-12H,1,3-5,13-18H2,(H2,27,33)(H,28,29)
InChIKeyJQKZVDGLVBIIFD-UHFFFAOYSA-N
XLogP3.36
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(7S)-7-(prop-2-enoylamino)-5-azaspiro[2.4]heptan-5-yl]-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide
CID 118038240
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
4-(cyclopropylamino)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)anilino]pyrimidine-5-carboxamide
CID 163617190
6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide
CID 118043235
2-[4-(2-piperidin-1-ylethyl)anilino]butanamide
CID 56788823
[4-[[6-carbamoyl-3-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]-1,2,4-triazin-5-yl]amino]phenyl]methyl-[(2S)-3,3-dimethylbutan-2-yl]carbamic acid
CID 135361338
[4-[[6-carbamoyl-3-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2,4-triazin-5-yl]amino]phenyl]methyl-(3,3-dimethylbutan-2-yl)carbamic acid
CID 135361341
2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 92620823
2,2-diphenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575227
N-[4-(2-piperidin-1-ylethyl)phenyl]formamide
CID 168653068
7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide
CID 119862086
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697

Frequently Asked Questions

What is the IUPAC name of 6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of 6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide (CID 118038731) is 6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide is C=CC(=O)N1CCC=C(c2ccc(C(N)=O)c(Nc3ccc(CCN4CCCC4)cc3)n2)C1.
What is the InChIKey of 6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide?
The InChIKey is JQKZVDGLVBIIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-2-24(32)31-16-5-6-20(18-31)23-12-11-22(25(27)33)26(29-23)28-21-9-7-19(8-10-21)13-17-30-14-3-4-15-30/h2,6-12H,1,3-5,13-18H2,(H2,27,33)(H,28,29).
What are the key properties of 6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide?
6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 118038731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).