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

C19H21N5O2 — CID 129315593

IUPAC5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N(C)CCO)c3)ccn2)[nH]c1C
InChIInChI=1S/C19H21N5O2/c1-12-13(2)23-18(22-12)17-9-14(4-5-21-17)15-8-16(11-20-10-15)19(26)24(3)6-7-25/h4-5,8-11,25H,6-7H2,1-3H3,(H,22,23)
InChIKeyORQXORPCBRMFBA-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.21
Rot. Bonds5

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

5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide (PubChem CID 129315593) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide
PubChem CID129315593
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N(C)CCO)c3)ccn2)[nH]c1C
InChIInChI=1S/C19H21N5O2/c1-12-13(2)23-18(22-12)17-9-14(4-5-21-17)15-8-16(11-20-10-15)19(26)24(3)6-7-25/h4-5,8-11,25H,6-7H2,1-3H3,(H,22,23)
InChIKeyORQXORPCBRMFBA-UHFFFAOYSA-N
XLogP2.21
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Difluoromethyl)-5-{[(2-Methylpropanoyl)amino]methyl}-N-{5-Methyl-4-[4-(Trifluoromethyl)phenyl]-1h-Imidazol-2-Yl}pyridine-3-Carboxamide
CID 71059525
Linaprazan
CID 9951066
2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11357740
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid [4-(3-hydroxy-azetidine-1-carbonyl)-pyridin-3-yl]-amide
CID 58548390
Dipyridodiazepinone deriv. 41
CID 463561
Dipyridodiazepinone deriv. 42
CID 463562
Dipyridodiazepinone deriv. 43
CID 463563
2-ethyl-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470743
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-[2-(phenylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267850
N-(4-{4-oxo-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-2-yl}pyrimidin-2-yl)benzamide
CID 11404817

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide (CID 129315593) is 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide is Cc1nc(-c2cc(-c3cncc(C(=O)N(C)CCO)c3)ccn2)[nH]c1C.
What is the InChIKey of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is ORQXORPCBRMFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-13(2)23-18(22-12)17-9-14(4-5-21-17)15-8-16(11-20-10-15)19(26)24(3)6-7-25/h4-5,8-11,25H,6-7H2,1-3H3,(H,22,23).
What are the key properties of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide?
5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 129315593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).