N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide

C18H19N5O — CID 109295766

IUPACN-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H19N5O/c24-17(22-13-5-6-13)16-8-10-20-18(23-16)19-9-7-12-11-21-15-4-2-1-3-14(12)15/h1-4,8,10-11,13,21H,5-7,9H2,(H,22,24)(H,19,20,23)
InChIKeyBENAARIYBQYMKP-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.50
Rot. Bonds6

About N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide

N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109295766) 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-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109295766
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H19N5O/c24-17(22-13-5-6-13)16-8-10-20-18(23-16)19-9-7-12-11-21-15-4-2-1-3-14(12)15/h1-4,8,10-11,13,21H,5-7,9H2,(H,22,24)(H,19,20,23)
InChIKeyBENAARIYBQYMKP-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-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109303774
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109247309
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109301265
N-cyclopentyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204033
2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304866
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109309599
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204779
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109309620
(4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone
CID 109302555
N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363292
N-cyclohexyl-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342013
N-cyclopropyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109223605

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide (CID 109295766) is N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide is O=C(NC1CC1)c1ccnc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is BENAARIYBQYMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-17(22-13-5-6-13)16-8-10-20-18(23-16)19-9-7-12-11-21-15-4-2-1-3-14(12)15/h1-4,8,10-11,13,21H,5-7,9H2,(H,22,24)(H,19,20,23).
What are the key properties of N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide?
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-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-4-carboxamide is sourced from PubChem (CID 109295766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).