2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide

C17H20N4O2 — CID 109251749

IUPAC2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C17H20N4O2/c1-23-10-4-8-18-16(22)14-11-19-17(20-12-14)21-9-7-13-5-2-3-6-15(13)21/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,18,22)
InChIKeyURDDJKMHJFZOEZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.94
Rot. Bonds6

About 2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide

2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide (PubChem CID 109251749) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
PubChem CID109251749
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C17H20N4O2/c1-23-10-4-8-18-16(22)14-11-19-17(20-12-14)21-9-7-13-5-2-3-6-15(13)21/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,18,22)
InChIKeyURDDJKMHJFZOEZ-UHFFFAOYSA-N
XLogP1.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252753
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109251077
2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258571
N-(3-methoxypropyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250092
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266156
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635
N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266171
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266162
2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109266150
2-(2,3-dihydroindol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109266221
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methoxypropyl)benzamide
CID 109045275
2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109312097

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide (CID 109251749) is 2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide is COCCCNC(=O)c1cnc(N2CCc3ccccc32)nc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide?
The InChIKey is URDDJKMHJFZOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-10-4-8-18-16(22)14-11-19-17(20-12-14)21-9-7-13-5-2-3-6-15(13)21/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,18,22).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).