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

C23H23N5O — CID 109304866

IUPAC2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(NCCc2c[nH]c3ccccc23)n1)c1ccccc1
InChIInChI=1S/C23H23N5O/c1-16(17-7-3-2-4-8-17)27-22(29)21-12-14-25-23(28-21)24-13-11-18-15-26-20-10-6-5-9-19(18)20/h2-10,12,14-16,26H,11,13H2,1H3,(H,27,29)(H,24,25,28)
InChIKeyZUPPWUPVVCXQRA-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.10
Rot. Bonds7

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

2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109304866) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109304866
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(NCCc2c[nH]c3ccccc23)n1)c1ccccc1
InChIInChI=1S/C23H23N5O/c1-16(17-7-3-2-4-8-17)27-22(29)21-12-14-25-23(28-21)24-13-11-18-15-26-20-10-6-5-9-19(18)20/h2-10,12,14-16,26H,11,13H2,1H3,(H,27,29)(H,24,25,28)
InChIKeyZUPPWUPVVCXQRA-UHFFFAOYSA-N
XLogP4.10
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.10
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-4-carboxamide
CID 109295766
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109301265
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109309599
2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109301059
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109309620
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112896684
(4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone
CID 109302555
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
2-[2-(1H-indol-3-yl)ethylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321035
2-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 139972357
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109304866) is 2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide is CC(NC(=O)c1ccnc(NCCc2c[nH]c3ccccc23)n1)c1ccccc1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is ZUPPWUPVVCXQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16(17-7-3-2-4-8-17)27-22(29)21-12-14-25-23(28-21)24-13-11-18-15-26-20-10-6-5-9-19(18)20/h2-10,12,14-16,26H,11,13H2,1H3,(H,27,29)(H,24,25,28).
What are the key properties of 2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109304866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).