6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide

C15H18ClN3O — CID 166262127

IUPAC6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCC1CCNC1CNC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H18ClN3O/c1-9-4-5-17-14(9)8-18-15(20)13-6-10-2-3-11(16)7-12(10)19-13/h2-3,6-7,9,14,17,19H,4-5,8H2,1H3,(H,18,20)
InChIKeyBHRTWJCXAHKDKZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.55
Rot. Bonds3

About 6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide

6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 166262127) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide
PubChem CID166262127
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCC1CCNC1CNC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H18ClN3O/c1-9-4-5-17-14(9)8-18-15(20)13-6-10-2-3-11(16)7-12(10)19-13/h2-3,6-7,9,14,17,19H,4-5,8H2,1H3,(H,18,20)
InChIKeyBHRTWJCXAHKDKZ-UHFFFAOYSA-N
XLogP2.55
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid
CID 75417841
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207545
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 113207612
5-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-1H-indole-2-carboxamide
CID 94006807
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 94020775
6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 166373419
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide (CID 166262127) is 6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide is CC1CCNC1CNC(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is BHRTWJCXAHKDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9-4-5-17-14(9)8-18-15(20)13-6-10-2-3-11(16)7-12(10)19-13/h2-3,6-7,9,14,17,19H,4-5,8H2,1H3,(H,18,20).
What are the key properties of 6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide?
6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methylpyrrolidin-2-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166262127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).