2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide

C20H21N5O — CID 51085922

IUPAC2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C20H21N5O/c26-20(17-7-8-22-19(13-17)25-12-9-21-15-25)23-14-16-3-5-18(6-4-16)24-10-1-2-11-24/h3-9,12-13,15H,1-2,10-11,14H2,(H,23,26)
InChIKeyCCPIHUZDUUVUCP-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.80
Rot. Bonds5

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

2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 51085922) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
PubChem CID51085922
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C20H21N5O/c26-20(17-7-8-22-19(13-17)25-12-9-21-15-25)23-14-16-3-5-18(6-4-16)24-10-1-2-11-24/h3-9,12-13,15H,1-2,10-11,14H2,(H,23,26)
InChIKeyCCPIHUZDUUVUCP-UHFFFAOYSA-N
XLogP2.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51085856
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 167851793
2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
CID 35616071
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47068369
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
4-cyclohexyl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526309
3-(2,5-dioxopyrrolidin-1-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 167917933
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 84594593
4-imidazol-1-yl-3-nitro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585813
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
2-imidazol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 51085895

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide (CID 51085922) is 2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide is O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is CCPIHUZDUUVUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(17-7-8-22-19(13-17)25-12-9-21-15-25)23-14-16-3-5-18(6-4-16)24-10-1-2-11-24/h3-9,12-13,15H,1-2,10-11,14H2,(H,23,26).
What are the key properties of 2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide?
2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.80, 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-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 51085922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).