N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide

C18H19N5O — CID 109247309

IUPACN-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(NCCc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C18H19N5O/c24-17(23-14-5-6-14)13-10-21-18(22-11-13)19-8-7-12-9-20-16-4-2-1-3-15(12)16/h1-4,9-11,14,20H,5-8H2,(H,23,24)(H,19,21,22)
InChIKeyADOBZQLHYAUENS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.50
Rot. Bonds6

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

N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide (PubChem CID 109247309) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
PubChem CID109247309
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(NCCc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C18H19N5O/c24-17(23-14-5-6-14)13-10-21-18(22-11-13)19-8-7-12-9-20-16-4-2-1-3-15(12)16/h1-4,9-11,14,20H,5-8H2,(H,23,24)(H,19,21,22)
InChIKeyADOBZQLHYAUENS-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

2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109247506
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109295766
N-cyclopropyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109223605
N-(3,5-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109261299
N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109261301
1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea
CID 113028926
N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258682
N-cyclopentyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204033
N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109058300
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204779
N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256233
N-cyclohexyl-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342013

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide (CID 109247309) is N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide is O=C(NC1CC1)c1cnc(NCCc2c[nH]c3ccccc23)nc1.
What is the InChIKey of N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is ADOBZQLHYAUENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-17(23-14-5-6-14)13-10-21-18(22-11-13)19-8-7-12-9-20-16-4-2-1-3-15(12)16/h1-4,9-11,14,20H,5-8H2,(H,23,24)(H,19,21,22).
What are the key properties of N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide?
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]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 N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109247309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).