6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide

C27H33N3O2 — CID 118302008

IUPAC6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(C=C2CC2)cc2c1c(C)cn2C(C)C
InChIInChI=1S/C27H33N3O2/c1-6-7-21-10-18(5)29-27(32)23(21)14-28-26(31)22-12-20(11-19-8-9-19)13-24-25(22)17(4)15-30(24)16(2)3/h10-13,15-16H,6-9,14H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyBUPNLDQHJIDCKG-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.59
Rot. Bonds7

About 6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide

6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide (PubChem CID 118302008) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
PubChem CID118302008
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(C=C2CC2)cc2c1c(C)cn2C(C)C
InChIInChI=1S/C27H33N3O2/c1-6-7-21-10-18(5)29-27(32)23(21)14-28-26(31)22-12-20(11-19-8-9-19)13-24-25(22)17(4)15-30(24)16(2)3/h10-13,15-16H,6-9,14H2,1-5H3,(H,28,31)(H,29,32)
InChIKeyBUPNLDQHJIDCKG-UHFFFAOYSA-N
XLogP5.59
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

3-methyl-4-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-N-oxo-1-propan-2-ylindole-4,6-dicarboxamide
CID 122448424
7-hydroxy-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide
CID 122448360
4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methyl-1-propan-2-ylindol-6-yl]benzoic acid
CID 54670078
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(4-methylphenyl)-1-propan-2-ylindole-4-carboxamide
CID 122448431
6-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
CID 67466111
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-(6-methyl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide
CID 67468458
6-(6-chloro-1,2-dihydropyridin-3-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
CID 122448542
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide
CID 54670267
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(6-pyrrolidin-1-yl-3-pyridinyl)indole-4-carboxamide
CID 54670447
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide
CID 67468820
1-butan-2-yl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide
CID 123591063
4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methyl-1-propan-2-yl-6-[3-[1-(sulfinoamino)ethyl]phenyl]indole
CID 118481862

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide?
The IUPAC name of 6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide (CID 118302008) is 6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide.
What is the SMILES notation for 6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide?
The canonical SMILES for 6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(C=C2CC2)cc2c1c(C)cn2C(C)C.
What is the InChIKey of 6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide?
The InChIKey is BUPNLDQHJIDCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-6-7-21-10-18(5)29-27(32)23(21)14-28-26(31)22-12-20(11-19-8-9-19)13-24-25(22)17(4)15-30(24)16(2)3/h10-13,15-16H,6-9,14H2,1-5H3,(H,28,31)(H,29,32).
What are the key properties of 6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide?
6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylidenemethyl)-3-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 118302008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).