N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C21H18N6O — CID 22249186

IUPACN-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C21H18N6O/c28-21(26-17-3-5-18(6-4-17)27-13-12-23-15-27)19-2-1-9-24-20(19)25-14-16-7-10-22-11-8-16/h1-13,15H,14H2,(H,24,25)(H,26,28)
InChIKeyRLCSOSKPEXBPHZ-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.53
Rot. Bonds6

About N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 22249186) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID22249186
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC NameN-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C21H18N6O/c28-21(26-17-3-5-18(6-4-17)27-13-12-23-15-27)19-2-1-9-24-20(19)25-14-16-7-10-22-11-8-16/h1-13,15H,14H2,(H,24,25)(H,26,28)
InChIKeyRLCSOSKPEXBPHZ-UHFFFAOYSA-N
XLogP3.53
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249375
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11349748
N-[3-(fluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907405
N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11268688
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 20773471
2-bromo-N-(4-imidazol-1-ylphenyl)benzamide
CID 37239314
2-(pyridin-4-ylmethylamino)-N-[2,4,4-trifluoro-2-(trifluoromethyl)-1,3-benzodioxin-6-yl]pyridine-3-carboxamide
CID 59848989
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249437
N-naphthalen-1-yl-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249311

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 22249186) is N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1ccc(-n2ccnc2)cc1)c1cccnc1NCc1ccncc1.
What is the InChIKey of N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is RLCSOSKPEXBPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c28-21(26-17-3-5-18(6-4-17)27-13-12-23-15-27)19-2-1-9-24-20(19)25-14-16-7-10-22-11-8-16/h1-13,15H,14H2,(H,24,25)(H,26,28).
What are the key properties of N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 22249186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).