N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide

C21H23N5O — CID 129315443

IUPACN-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cc(-c3cncc(C(=O)NCC4CCC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C21H23N5O/c1-13-14(2)26-20(25-13)19-9-16(6-7-23-19)17-8-18(12-22-11-17)21(27)24-10-15-4-3-5-15/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyYKVKBRODQNIXSA-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.68
Rot. Bonds5

About N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide

N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide (PubChem CID 129315443) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide
PubChem CID129315443
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cc(-c3cncc(C(=O)NCC4CCC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C21H23N5O/c1-13-14(2)26-20(25-13)19-9-16(6-7-23-19)17-8-18(12-22-11-17)21(27)24-10-15-4-3-5-15/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyYKVKBRODQNIXSA-UHFFFAOYSA-N
XLogP3.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone
CID 129315725
5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155068439
1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile
CID 129315759
5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155068465
(3,3-difluoropyrrolidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone;2,2,2-trifluoroacetic acid
CID 155068418
5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
CID 71730774
N-(cyclopentylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63865672
N-(cyclohexylmethyl)-5-[1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydroisoquinolin-7-yl]pyridine-3-carboxamide
CID 129126564
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-pyridin-4-ylbenzamide
CID 118787590
N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 58808518
5-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42845777
(3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
CID 165112481

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide (CID 129315443) is N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide is Cc1nc(-c2cc(-c3cncc(C(=O)NCC4CCC4)c3)ccn2)[nH]c1C.
What is the InChIKey of N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide?
The InChIKey is YKVKBRODQNIXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-13-14(2)26-20(25-13)19-9-16(6-7-23-19)17-8-18(12-22-11-17)21(27)24-10-15-4-3-5-15/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide?
N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 129315443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).