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

C19H17N5O — CID 109258571

IUPAC2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C19H17N5O/c25-18(21-13-16-6-3-4-9-20-16)15-11-22-19(23-12-15)24-10-8-14-5-1-2-7-17(14)24/h1-7,9,11-12H,8,10,13H2,(H,21,25)
InChIKeyCOUCGROYUOAIIU-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.50
Rot. Bonds4

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

2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109258571) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109258571
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C19H17N5O/c25-18(21-13-16-6-3-4-9-20-16)15-11-22-19(23-12-15)24-10-8-14-5-1-2-7-17(14)24/h1-7,9,11-12H,8,10,13H2,(H,21,25)
InChIKeyCOUCGROYUOAIIU-UHFFFAOYSA-N
XLogP2.50
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109258550
2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252753
2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251749
2-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254753
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109251077
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 99950072
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266162
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266156
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136915
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
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 55341761

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (CID 109258571) is 2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is O=C(NCc1ccccn1)c1cnc(N2CCc3ccccc32)nc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is COUCGROYUOAIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c25-18(21-13-16-6-3-4-9-20-16)15-11-22-19(23-12-15)24-10-8-14-5-1-2-7-17(14)24/h1-7,9,11-12H,8,10,13H2,(H,21,25).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.50, 4 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-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).