2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide

C19H20N6O — CID 51085856

IUPAC2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C19H20N6O/c26-19(16-5-6-21-18(11-16)25-10-7-20-14-25)23-13-15-3-4-17(22-12-15)24-8-1-2-9-24/h3-7,10-12,14H,1-2,8-9,13H2,(H,23,26)
InChIKeyZEWUZTUYJGQZIC-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.19
Rot. Bonds5

About 2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide

2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 51085856) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID51085856
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C19H20N6O/c26-19(16-5-6-21-18(11-16)25-10-7-20-14-25)23-13-15-3-4-17(22-12-15)24-8-1-2-9-24/h3-7,10-12,14H,1-2,8-9,13H2,(H,23,26)
InChIKeyZEWUZTUYJGQZIC-UHFFFAOYSA-N
XLogP2.19
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
CID 51085922
4-imidazol-1-yl-3-nitro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585813
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
4-fluoro-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 38772491
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
4-pyrazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528681
N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47068369
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 167851793
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
4-cyclohexyl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526309

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide (CID 51085856) is 2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide is O=C(NCc1ccc(N2CCCC2)nc1)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is ZEWUZTUYJGQZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(16-5-6-21-18(11-16)25-10-7-20-14-25)23-13-15-3-4-17(22-12-15)24-8-1-2-9-24/h3-7,10-12,14H,1-2,8-9,13H2,(H,23,26).
What are the key properties of 2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide?
2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 51085856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).