N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

C20H22N6O — CID 51115815

IUPACN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCc1nccn1-c1cc(CNC(=O)c2cccnc2N2CCCC2)ccn1
InChIInChI=1S/C20H22N6O/c1-15-21-9-12-26(15)18-13-16(6-8-22-18)14-24-20(27)17-5-4-7-23-19(17)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,24,27)
InChIKeyHXELWZWMAKDLAS-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.50
Rot. Bonds5

About N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 51115815) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID51115815
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCc1nccn1-c1cc(CNC(=O)c2cccnc2N2CCCC2)ccn1
InChIInChI=1S/C20H22N6O/c1-15-21-9-12-26(15)18-13-16(6-8-22-18)14-24-20(27)17-5-4-7-23-19(17)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,24,27)
InChIKeyHXELWZWMAKDLAS-UHFFFAOYSA-N
XLogP2.50
TPSA75.94 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 17482313
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760
methyl 2-[4-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55725962
2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55743503
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55716284
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55726057
(2S)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47066876

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 51115815) is N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is Cc1nccn1-c1cc(CNC(=O)c2cccnc2N2CCCC2)ccn1.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is HXELWZWMAKDLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-21-9-12-26(15)18-13-16(6-8-22-18)14-24-20(27)17-5-4-7-23-19(17)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,24,27).
What are the key properties of N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 51115815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).