N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

C24H24N4O — CID 77090076

IUPACN-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CCc2c[nH]c3ccccc23)Cc2cccnc2)cc(C)n1
InChIInChI=1S/C24H24N4O/c1-17-12-21(13-18(2)27-17)24(29)28(16-19-6-5-10-25-14-19)11-9-20-15-26-23-8-4-3-7-22(20)23/h3-8,10,12-15,26H,9,11,16H2,1-2H3
InChIKeyJCHKPLXVJQUWMH-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.46
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 77090076) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID77090076
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CCc2c[nH]c3ccccc23)Cc2cccnc2)cc(C)n1
InChIInChI=1S/C24H24N4O/c1-17-12-21(13-18(2)27-17)24(29)28(16-19-6-5-10-25-14-19)11-9-20-15-26-23-8-4-3-7-22(20)23/h3-8,10,12-15,26H,9,11,16H2,1-2H3
InChIKeyJCHKPLXVJQUWMH-UHFFFAOYSA-N
XLogP4.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113055312
pyridin-3-ylmethyl N,N-bis[2-(1H-indol-3-yl)ethyl]carbamodithioate
CID 154944652
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide
CID 1057302
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4998732
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 1057301
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087316
N-cyclopropyl-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46124380
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 22689997
N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide
CID 3462013
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42772115

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 77090076) is N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is Cc1cc(C(=O)N(CCc2c[nH]c3ccccc23)Cc2cccnc2)cc(C)n1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is JCHKPLXVJQUWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-17-12-21(13-18(2)27-17)24(29)28(16-19-6-5-10-25-14-19)11-9-20-15-26-23-8-4-3-7-22(20)23/h3-8,10,12-15,26H,9,11,16H2,1-2H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 77090076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).