(2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone

C23H29N5O — CID 109331595

IUPAC(2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)nc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C23H29N5O/c1-3-18-8-6-7-13-28(18)22(29)21-14-16(2)26-23(27-21)24-12-11-17-15-25-20-10-5-4-9-19(17)20/h4-5,9-10,14-15,18,25H,3,6-8,11-13H2,1-2H3,(H,24,26,27)
InChIKeyVSKFWQDBZYJMHS-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.33
Rot. Bonds6

About (2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone

(2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone (PubChem CID 109331595) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone
PubChem CID109331595
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)nc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C23H29N5O/c1-3-18-8-6-7-13-28(18)22(29)21-14-16(2)26-23(27-21)24-12-11-17-15-25-20-10-5-4-9-19(17)20/h4-5,9-10,14-15,18,25H,3,6-8,11-13H2,1-2H3,(H,24,26,27)
InChIKeyVSKFWQDBZYJMHS-UHFFFAOYSA-N
XLogP4.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109322683
(2-ethylpiperidin-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325229
2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321035
2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109331592
[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109333856
[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363650
(2-ethylpiperidin-1-yl)-[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]methanone
CID 109333881
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113121783
(2-ethylpiperidin-1-yl)-[6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109333892
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320846
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113005765
N-cyclopentyl-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363292

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone (CID 109331595) is (2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone is CCC1CCCCN1C(=O)c1cc(C)nc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone?
The InChIKey is VSKFWQDBZYJMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-3-18-8-6-7-13-28(18)22(29)21-14-16(2)26-23(27-21)24-12-11-17-15-25-20-10-5-4-9-19(17)20/h4-5,9-10,14-15,18,25H,3,6-8,11-13H2,1-2H3,(H,24,26,27).
What are the key properties of (2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone?
(2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]-6-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 109331595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).