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

C22H21N5O — CID 109171814

IUPAC2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H21N5O/c28-22(27-14-16-4-3-9-23-13-16)17-7-10-24-21(12-17)25-11-8-18-15-26-20-6-2-1-5-19(18)20/h1-7,9-10,12-13,15,26H,8,11,14H2,(H,24,25)(H,27,28)
InChIKeyWKWRGOADWHMAPK-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.54
Rot. Bonds7

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

2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 109171814) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID109171814
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1ccnc(NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H21N5O/c28-22(27-14-16-4-3-9-23-13-16)17-7-10-24-21(12-17)25-11-8-18-15-26-20-6-2-1-5-19(18)20/h1-7,9-10,12-13,15,26H,8,11,14H2,(H,24,25)(H,27,28)
InChIKeyWKWRGOADWHMAPK-UHFFFAOYSA-N
XLogP3.54
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087316
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109167678
2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109170646
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
N-[2-(1H-indol-3-yl)ethyl]-2-(prop-2-enylamino)pyridine-4-carboxamide
CID 109165348
N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191325
N-benzyl-N-ethyl-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109171507
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173085
2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173692
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
N-(2-cyanophenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109173760
2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109173732

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 109171814) is 2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is O=C(NCc1cccnc1)c1ccnc(NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is WKWRGOADWHMAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(27-14-16-4-3-9-23-13-16)17-7-10-24-21(12-17)25-11-8-18-15-26-20-6-2-1-5-19(18)20/h1-7,9-10,12-13,15,26H,8,11,14H2,(H,24,25)(H,27,28).
What are the key properties of 2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 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-(pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109171814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).