N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide

C21H18N4O2 — CID 90515664

IUPACN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H18N4O2/c26-20-13-18(15-6-2-1-3-7-15)23-14-25(20)11-10-22-21(27)19-12-16-8-4-5-9-17(16)24-19/h1-9,12-14,24H,10-11H2,(H,22,27)
InChIKeyKRBVZENXCCULEJ-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide

N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 90515664) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID90515664
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C21H18N4O2/c26-20-13-18(15-6-2-1-3-7-15)23-14-25(20)11-10-22-21(27)19-12-16-8-4-5-9-17(16)24-19/h1-9,12-14,24H,10-11H2,(H,22,27)
InChIKeyKRBVZENXCCULEJ-UHFFFAOYSA-N
XLogP2.82
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674
2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515515
2-(2-methoxyphenyl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515649
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90515701
5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 90515715
4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 90515615
3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515527
5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 90515676
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenylbutanamide
CID 90515546
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-indole-2-carboxamide
CID 91893399

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide (CID 90515664) is N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide is O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is KRBVZENXCCULEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20-13-18(15-6-2-1-3-7-15)23-14-25(20)11-10-22-21(27)19-12-16-8-4-5-9-17(16)24-19/h1-9,12-14,24H,10-11H2,(H,22,27).
What are the key properties of N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide?
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 90515664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).