N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide

C21H25N5O — CID 109363292

IUPACN-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCc2c[nH]c3ccccc23)cc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C21H25N5O/c1-14-24-19(21(27)26-16-6-2-3-7-16)12-20(25-14)22-11-10-15-13-23-18-9-5-4-8-17(15)18/h4-5,8-9,12-13,16,23H,2-3,6-7,10-11H2,1H3,(H,26,27)(H,22,24,25)
InChIKeyJMXQRCYSNLEKLL-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.59
Rot. Bonds6

About N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide

N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109363292) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109363292
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCc2c[nH]c3ccccc23)cc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C21H25N5O/c1-14-24-19(21(27)26-16-6-2-3-7-16)12-20(25-14)22-11-10-15-13-23-18-9-5-4-8-17(15)18/h4-5,8-9,12-13,16,23H,2-3,6-7,10-11H2,1H3,(H,26,27)(H,22,24,25)
InChIKeyJMXQRCYSNLEKLL-UHFFFAOYSA-N
XLogP3.59
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342013
N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372692
[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363650
6-[2-(1H-indol-3-yl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369044
N-cyclopentyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204033
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109204779
N-cyclopropyl-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109361002
(4-ethylpiperazin-1-yl)-[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]methanone
CID 109367329
N-cyclopentyl-6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363323
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109295766
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372724
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide (CID 109363292) is N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide is Cc1nc(NCCc2c[nH]c3ccccc23)cc(C(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is JMXQRCYSNLEKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-24-19(21(27)26-16-6-2-3-7-16)12-20(25-14)22-11-10-15-13-23-18-9-5-4-8-17(15)18/h4-5,8-9,12-13,16,23H,2-3,6-7,10-11H2,1H3,(H,26,27)(H,22,24,25).
What are the key properties of N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide?
N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).