2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide

C24H25N5O — CID 109173085

IUPAC2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccnc(NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H25N5O/c1-29(15-10-18-6-11-25-12-7-18)24(30)19-8-13-26-23(16-19)27-14-9-20-17-28-22-5-3-2-4-21(20)22/h2-8,11-13,16-17,28H,9-10,14-15H2,1H3,(H,26,27)
InChIKeyPZMCDRQBFIOFTG-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.93
Rot. Bonds8

About 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide

2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide (PubChem CID 109173085) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
PubChem CID109173085
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccnc(NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H25N5O/c1-29(15-10-18-6-11-25-12-7-18)24(30)19-8-13-26-23(16-19)27-14-9-20-17-28-22-5-3-2-4-21(20)22/h2-8,11-13,16-17,28H,9-10,14-15H2,1H3,(H,26,27)
InChIKeyPZMCDRQBFIOFTG-UHFFFAOYSA-N
XLogP3.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109167678
N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109171507
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985537
2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171814
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide
CID 44587808
2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109173732
N-[2-(1H-indol-3-yl)ethyl]-2-(prop-2-enylamino)pyridine-4-carboxamide
CID 109165348
2-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109166673
2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109170646
2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109170941
N-(2-cyanophenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109173760
N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide (CID 109173085) is 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide is CN(CCc1ccncc1)C(=O)c1ccnc(NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
The InChIKey is PZMCDRQBFIOFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-29(15-10-18-6-11-25-12-7-18)24(30)19-8-13-26-23(16-19)27-14-9-20-17-28-22-5-3-2-4-21(20)22/h2-8,11-13,16-17,28H,9-10,14-15H2,1H3,(H,26,27).
What are the key properties of 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109173085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).