N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide

C21H20N6O — CID 109258682

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc(NCc2ccccn2)nc1
InChIInChI=1S/C21H20N6O/c28-20(23-10-8-15-11-24-19-7-2-1-6-18(15)19)16-12-25-21(26-13-16)27-14-17-5-3-4-9-22-17/h1-7,9,11-13,24H,8,10,14H2,(H,23,28)(H,25,26,27)
InChIKeyLJVWQZASDARVTD-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.94
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109258682) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109258682
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc(NCc2ccccn2)nc1
InChIInChI=1S/C21H20N6O/c28-20(23-10-8-15-11-24-19-7-2-1-6-18(15)19)16-12-25-21(26-13-16)27-14-17-5-3-4-9-22-17/h1-7,9,11-13,24H,8,10,14H2,(H,23,28)(H,25,26,27)
InChIKeyLJVWQZASDARVTD-UHFFFAOYSA-N
XLogP2.94
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256233
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349573
2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109247506
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109261239
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109247309
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893305
2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109261245
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893147
3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 107518048
N-(3,5-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109261299

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109258682) is N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cnc(NCc2ccccn2)nc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is LJVWQZASDARVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-20(23-10-8-15-11-24-19-7-2-1-6-18(15)19)16-12-25-21(26-13-16)27-14-17-5-3-4-9-22-17/h1-7,9,11-13,24H,8,10,14H2,(H,23,28)(H,25,26,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).