3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide

C27H31N3O2 — CID 152782851

IUPAC3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide
SMILESCC(C)N(C(=O)C1CC(=O)c2c([nH]c(-c3ccncc3)c2Cc2ccccc2)C1)C(C)C
InChIInChI=1S/C27H31N3O2/c1-17(2)30(18(3)4)27(32)21-15-23-25(24(31)16-21)22(14-19-8-6-5-7-9-19)26(29-23)20-10-12-28-13-11-20/h5-13,17-18,21,29H,14-16H2,1-4H3
InChIKeyRPVYLZRRYBICFH-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.06
Rot. Bonds6

About 3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide

3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide (PubChem CID 152782851) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide
PubChem CID152782851
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide
SMILESCC(C)N(C(=O)C1CC(=O)c2c([nH]c(-c3ccncc3)c2Cc2ccccc2)C1)C(C)C
InChIInChI=1S/C27H31N3O2/c1-17(2)30(18(3)4)27(32)21-15-23-25(24(31)16-21)22(14-19-8-6-5-7-9-19)26(29-23)20-10-12-28-13-11-20/h5-13,17-18,21,29H,14-16H2,1-4H3
InChIKeyRPVYLZRRYBICFH-UHFFFAOYSA-N
XLogP5.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide with MolForge

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Related Compounds

3-benzyl-6-butanoyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 159523264
3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 158297042
3-benzyl-6-(4-methyl-3-oxopentyl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 160885842
3-benzyl-6-(ethylsulfonylmethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 162176722
3-benzyl-2-[3-(cyclopropylmethoxy)-4-pyridinyl]-N,N-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide
CID 148749410
3-[(4-benzylphenyl)methyl]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 149190220
3-benzyl-6-[2-(4-fluorophenyl)sulfonylethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 160912048
3-benzyl-2-[2-[(4-fluorobenzoyl)amino]-4-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-oxo-1,5,6,7-tetrahydroindole-6-carboxamide
CID 153167592
3-benzyl-6-(2-hydroxyethylsulfonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 159544305
(4aS,5aS)-3-benzyl-5a-methyl-2-pyridin-4-yl-1,4a,5,6-tetrahydrocyclopropa[f]indol-4-one
CID 159804901
3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 159896683
N-[4-(3-benzyl-6-formyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]acetamide
CID 159115979

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide?
The IUPAC name of 3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide (CID 152782851) is 3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide.
What is the SMILES notation for 3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide?
The canonical SMILES for 3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide is CC(C)N(C(=O)C1CC(=O)c2c([nH]c(-c3ccncc3)c2Cc2ccccc2)C1)C(C)C.
What is the InChIKey of 3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide?
The InChIKey is RPVYLZRRYBICFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-17(2)30(18(3)4)27(32)21-15-23-25(24(31)16-21)22(14-19-8-6-5-7-9-19)26(29-23)20-10-12-28-13-11-20/h5-13,17-18,21,29H,14-16H2,1-4H3.
What are the key properties of 3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide?
3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide is sourced from PubChem (CID 152782851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).