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

C18H19N5O — CID 109247506

IUPAC2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc(NC2CC2)nc1
InChIInChI=1S/C18H19N5O/c24-17(13-10-21-18(22-11-13)23-14-5-6-14)19-8-7-12-9-20-16-4-2-1-3-15(12)16/h1-4,9-11,14,20H,5-8H2,(H,19,24)(H,21,22,23)
InChIKeyBGXCPASZDBIVMK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.50
Rot. Bonds6

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

2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109247506) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID109247506
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnc(NC2CC2)nc1
InChIInChI=1S/C18H19N5O/c24-17(13-10-21-18(22-11-13)23-14-5-6-14)19-8-7-12-9-20-16-4-2-1-3-15(12)16/h1-4,9-11,14,20H,5-8H2,(H,19,24)(H,21,22,23)
InChIKeyBGXCPASZDBIVMK-UHFFFAOYSA-N
XLogP2.50
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109247309
6-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109152401
6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159738
N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258682
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-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256233
2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173684
2-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109166332
5-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285624
2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109261245
3-(cyclopropylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 30867031

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (CID 109247506) is 2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cnc(NC2CC2)nc1.
What is the InChIKey of 2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is BGXCPASZDBIVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-17(13-10-21-18(22-11-13)23-14-5-6-14)19-8-7-12-9-20-16-4-2-1-3-15(12)16/h1-4,9-11,14,20H,5-8H2,(H,19,24)(H,21,22,23).
What are the key properties of 2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109247506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).