6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide

C21H24ClN3O — CID 99935099

IUPAC6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide
SMILESCCCC[C@H](c1cccnc1)N(C)C(=O)c1cc2ccc(Cl)cc2n1C
InChIInChI=1S/C21H24ClN3O/c1-4-5-8-18(16-7-6-11-23-14-16)25(3)21(26)20-12-15-9-10-17(22)13-19(15)24(20)2/h6-7,9-14,18H,4-5,8H2,1-3H3/t18-/m1/s1
InChIKeyFLDBLFYANXOYFE-GOSISDBHSA-N
MW369.90 g/mol
LogP5.23
Rot. Bonds6

About 6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide

6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide (PubChem CID 99935099) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide
PubChem CID99935099
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide
SMILESCCCC[C@H](c1cccnc1)N(C)C(=O)c1cc2ccc(Cl)cc2n1C
InChIInChI=1S/C21H24ClN3O/c1-4-5-8-18(16-7-6-11-23-14-16)25(3)21(26)20-12-15-9-10-17(22)13-19(15)24(20)2/h6-7,9-14,18H,4-5,8H2,1-3H3/t18-/m1/s1
InChIKeyFLDBLFYANXOYFE-GOSISDBHSA-N
XLogP5.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.90
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,1,3-trimethyl-2,6-dioxo-N-[(1S)-1-pyridin-3-ylpentyl]pyrimidine-4-carboxamide
CID 95144359
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide
CID 125156737
3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea
CID 119065675
4-(difluoromethoxy)-N-methyl-N-(1-pyridin-3-ylpentyl)benzamide
CID 131892363
7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide
CID 96580826
6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide
CID 97113120
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 97436636
N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 131908751
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 137027898
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea
CID 137027899
1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea
CID 119069380
N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide
CID 125172275

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide?
The IUPAC name of 6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide (CID 99935099) is 6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide?
The canonical SMILES for 6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide is CCCC[C@H](c1cccnc1)N(C)C(=O)c1cc2ccc(Cl)cc2n1C.
What is the InChIKey of 6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide?
The InChIKey is FLDBLFYANXOYFE-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-4-5-8-18(16-7-6-11-23-14-16)25(3)21(26)20-12-15-9-10-17(22)13-19(15)24(20)2/h6-7,9-14,18H,4-5,8H2,1-3H3/t18-/m1/s1.
What are the key properties of 6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide?
6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide has a molecular weight of 369.90 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide is sourced from PubChem (CID 99935099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).