2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide

C22H25N5O — CID 87045978

IUPAC2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)c3ccnc(-n4ccnc4)c3)cc2)C1
InChIInChI=1S/C22H25N5O/c1-17-3-2-11-26(14-17)15-18-4-6-20(7-5-18)25-22(28)19-8-9-24-21(13-19)27-12-10-23-16-27/h4-10,12-13,16-17H,2-3,11,14-15H2,1H3,(H,25,28)
InChIKeyNAOAYIGAPSALQE-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.75
Rot. Bonds5

About 2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide

2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide (PubChem CID 87045978) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide
PubChem CID87045978
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide
SMILESCC1CCCN(Cc2ccc(NC(=O)c3ccnc(-n4ccnc4)c3)cc2)C1
InChIInChI=1S/C22H25N5O/c1-17-3-2-11-26(14-17)15-18-4-6-20(7-5-18)25-22(28)19-8-9-24-21(13-19)27-12-10-23-16-27/h4-10,12-13,16-17H,2-3,11,14-15H2,1H3,(H,25,28)
InChIKeyNAOAYIGAPSALQE-UHFFFAOYSA-N
XLogP3.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840543
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
N-[4-(diethylaminomethyl)phenyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99953059
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
N-(3,4-difluorophenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283469
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92683111
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55715197
ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109175803
2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide
CID 94818852

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide (CID 87045978) is 2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide is CC1CCCN(Cc2ccc(NC(=O)c3ccnc(-n4ccnc4)c3)cc2)C1.
What is the InChIKey of 2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is NAOAYIGAPSALQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-17-3-2-11-26(14-17)15-18-4-6-20(7-5-18)25-22(28)19-8-9-24-21(13-19)27-12-10-23-16-27/h4-10,12-13,16-17H,2-3,11,14-15H2,1H3,(H,25,28).
What are the key properties of 2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide?
2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 87045978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).