5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide

C27H28N6O2 — CID 159030452

IUPAC5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1c(-c2ccc(C3CC3)nc2)cc(C(=O)Nc2cccc(-c3nccn3C(C)C)n2)c(=O)n1C
InChIInChI=1S/C27H28N6O2/c1-16(2)33-13-12-28-25(33)23-6-5-7-24(30-23)31-26(34)21-14-20(17(3)32(4)27(21)35)19-10-11-22(29-15-19)18-8-9-18/h5-7,10-16,18H,8-9H2,1-4H3,(H,30,31,34)
InChIKeyDDAZVYBBWRIXRO-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.72
Rot. Bonds6

About 5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide

5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 159030452) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID159030452
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1c(-c2ccc(C3CC3)nc2)cc(C(=O)Nc2cccc(-c3nccn3C(C)C)n2)c(=O)n1C
InChIInChI=1S/C27H28N6O2/c1-16(2)33-13-12-28-25(33)23-6-5-7-24(30-23)31-26(34)21-14-20(17(3)32(4)27(21)35)19-10-11-22(29-15-19)18-8-9-18/h5-7,10-16,18H,8-9H2,1-4H3,(H,30,31,34)
InChIKeyDDAZVYBBWRIXRO-UHFFFAOYSA-N
XLogP4.72
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 159030451
1-(cyclopropylmethyl)-5-(6-cyclopropyl-3-pyridinyl)-6-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 146430988
N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-5-(6-cyclopropyl-3-pyridinyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 160805593
5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 135307217
8-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-oxo-2,3-dihydro-1H-indolizine-6-carboxamide
CID 135307267
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[1-[(2S)-1-fluoropropan-2-yl]imidazol-2-yl]-2-pyridinyl]-4-methylbenzamide
CID 158056694
4-(6-cyclopropyl-3-pyridinyl)-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylpyridine-2-carboxamide
CID 58102941
5-[6-(difluoromethyl)-3-pyridinyl]-1-methyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 146431033
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 71245288
4-chloro-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 153293852
3-cyclopropyl-8-fluoro-5-(1-methylpyrazole-3-carbonyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4,6-dihydroimidazo[1,5-a][1,4]benzodiazepine-9-carboxamide
CID 139309890
6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one
CID 161080606

Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide (CID 159030452) is 5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide is Cc1c(-c2ccc(C3CC3)nc2)cc(C(=O)Nc2cccc(-c3nccn3C(C)C)n2)c(=O)n1C.
What is the InChIKey of 5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is DDAZVYBBWRIXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-16(2)33-13-12-28-25(33)23-6-5-7-24(30-23)31-26(34)21-14-20(17(3)32(4)27(21)35)19-10-11-22(29-15-19)18-8-9-18/h5-7,10-16,18H,8-9H2,1-4H3,(H,30,31,34).
What are the key properties of 5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide?
5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclopropyl-3-pyridinyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 159030452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).