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

C20H21N5O2 — CID 129315487

IUPAC5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N[C@@H]4CCOC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H21N5O2/c1-12-13(2)24-19(23-12)18-8-14(3-5-22-18)15-7-16(10-21-9-15)20(26)25-17-4-6-27-11-17/h3,5,7-10,17H,4,6,11H2,1-2H3,(H,23,24)(H,25,26)/t17-/m1/s1
InChIKeyREGSIUJXPMZRPW-QGZVFWFLSA-N
MW363.42 g/mol
LogP2.67
Rot. Bonds4

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

5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide (PubChem CID 129315487) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
PubChem CID129315487
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
SMILESCc1nc(-c2cc(-c3cncc(C(=O)N[C@@H]4CCOC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H21N5O2/c1-12-13(2)24-19(23-12)18-8-14(3-5-22-18)15-7-16(10-21-9-15)20(26)25-17-4-6-27-11-17/h3,5,7-10,17H,4,6,11H2,1-2H3,(H,23,24)(H,25,26)/t17-/m1/s1
InChIKeyREGSIUJXPMZRPW-QGZVFWFLSA-N
XLogP2.67
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

Bay-707
CID 129012086
2-[2-(Oxan-4-Ylamino)pyrimidin-4-Yl]-5-(Phenylmethyl)-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480560
(6~{r})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480563
(6~{s})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480564
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-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11557879
Pyrrolo-pyrimidone, 15
CID 135524110
6-[2-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]pyridin-4-yl]-1,7-dihydropyrrolo[3,2-e]pyrimidin-4-one
CID 135524168
5-(2-Methoxyethyl)-2-[2-(Oxan-4-Ylamino)pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480561

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide (CID 129315487) is 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide is Cc1nc(-c2cc(-c3cncc(C(=O)N[C@@H]4CCOC4)c3)ccn2)[nH]c1C.
What is the InChIKey of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?
The InChIKey is REGSIUJXPMZRPW-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-12-13(2)24-19(23-12)18-8-14(3-5-22-18)15-7-16(10-21-9-15)20(26)25-17-4-6-27-11-17/h3,5,7-10,17H,4,6,11H2,1-2H3,(H,23,24)(H,25,26)/t17-/m1/s1.
What are the key properties of 5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide?
5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.67, 4 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-[(3R)-oxolan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 129315487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).