2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide

C22H26N4O — CID 164553821

IUPAC2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide
SMILESCc1cc(-c2[nH]c3cc(C(=O)N[C@H]4CCCNC4)ccc3c2C)cc(C)n1
InChIInChI=1S/C22H26N4O/c1-13-9-17(10-14(2)24-13)21-15(3)19-7-6-16(11-20(19)26-21)22(27)25-18-5-4-8-23-12-18/h6-7,9-11,18,23,26H,4-5,8,12H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyDGPBUFNJQYCVLR-SFHVURJKSA-N
MW362.48 g/mol
LogP3.64
Rot. Bonds3

About 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide

2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide (PubChem CID 164553821) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide
PubChem CID164553821
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide
SMILESCc1cc(-c2[nH]c3cc(C(=O)N[C@H]4CCCNC4)ccc3c2C)cc(C)n1
InChIInChI=1S/C22H26N4O/c1-13-9-17(10-14(2)24-13)21-15(3)19-7-6-16(11-20(19)26-21)22(27)25-18-5-4-8-23-12-18/h6-7,9-11,18,23,26H,4-5,8,12H2,1-3H3,(H,25,27)/t18-/m0/s1
InChIKeyDGPBUFNJQYCVLR-SFHVURJKSA-N
XLogP3.64
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 164553956
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole
CID 164553706
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 89423886
4-methyl-N-piperidin-3-yl-1H-indole-2-carboxamide
CID 68708484
N-piperidin-3-ylbenzamide
CID 22017045
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 99618356
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide (CID 164553821) is 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide is Cc1cc(-c2[nH]c3cc(C(=O)N[C@H]4CCCNC4)ccc3c2C)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide?
The InChIKey is DGPBUFNJQYCVLR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N4O/c1-13-9-17(10-14(2)24-13)21-15(3)19-7-6-16(11-20(19)26-21)22(27)25-18-5-4-8-23-12-18/h6-7,9-11,18,23,26H,4-5,8,12H2,1-3H3,(H,25,27)/t18-/m0/s1.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide?
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 164553821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).