2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide

C17H21N5O — CID 109252753

IUPAC2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C17H21N5O/c1-21(2)10-8-18-16(23)14-11-19-17(20-12-14)22-9-7-13-5-3-4-6-15(13)22/h3-6,11-12H,7-10H2,1-2H3,(H,18,23)
InChIKeyJGWLVOJYWAAREX-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.46
Rot. Bonds5

About 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide

2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide (PubChem CID 109252753) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
PubChem CID109252753
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C17H21N5O/c1-21(2)10-8-18-16(23)14-11-19-17(20-12-14)22-9-7-13-5-3-4-6-15(13)22/h3-6,11-12H,7-10H2,1-2H3,(H,18,23)
InChIKeyJGWLVOJYWAAREX-UHFFFAOYSA-N
XLogP1.46
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251749
5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277176
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-[2-(diethylamino)ethyl]-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84570324
5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 20940558
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266156
2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252740
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266162
N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266171
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide (CID 109252753) is 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide is CN(C)CCNC(=O)c1cnc(N2CCc3ccccc32)nc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
The InChIKey is JGWLVOJYWAAREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21(2)10-8-18-16(23)14-11-19-17(20-12-14)22-9-7-13-5-3-4-6-15(13)22/h3-6,11-12H,7-10H2,1-2H3,(H,18,23).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.46, 5 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-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109252753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).