2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide

C20H22N6O — CID 97115819

IUPAC2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)c1
InChIInChI=1S/C20H22N6O/c21-19(27)16-5-8-23-18(12-16)25-10-1-2-17(14-25)20-24-9-11-26(20)13-15-3-6-22-7-4-15/h3-9,11-12,17H,1-2,10,13-14H2,(H2,21,27)/t17-/m0/s1
InChIKeyBCAQNXDMDPQODF-KRWDZBQOSA-N
MW362.44 g/mol
LogP2.20
Rot. Bonds5

About 2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide

2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 97115819) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID97115819
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)c1
InChIInChI=1S/C20H22N6O/c21-19(27)16-5-8-23-18(12-16)25-10-1-2-17(14-25)20-24-9-11-26(20)13-15-3-6-22-7-4-15/h3-9,11-12,17H,1-2,10,13-14H2,(H2,21,27)/t17-/m0/s1
InChIKeyBCAQNXDMDPQODF-KRWDZBQOSA-N
XLogP2.20
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 72849518
2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97285685
[2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol
CID 97145677
2-methylsulfanyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97271296
[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97280653
[2-oxo-2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]urea
CID 97147491
[2-oxo-2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]urea
CID 97147492
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97127492
(3-fluorophenyl)-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97139604
[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
CID 97276543
[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 97121178
2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97282076

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide (CID 97115819) is 2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide is NC(=O)c1ccnc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)c1.
What is the InChIKey of 2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is BCAQNXDMDPQODF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N6O/c21-19(27)16-5-8-23-18(12-16)25-10-1-2-17(14-25)20-24-9-11-26(20)13-15-3-6-22-7-4-15/h3-9,11-12,17H,1-2,10,13-14H2,(H2,21,27)/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide?
2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97115819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).