2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C19H17N5O — CID 109307644

IUPAC2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C19H17N5O/c25-18(22-13-14-5-9-20-10-6-14)16-7-11-21-19(23-16)24-12-8-15-3-1-2-4-17(15)24/h1-7,9-11H,8,12-13H2,(H,22,25)
InChIKeyHXKTUYUKUYATPP-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.50
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109307644) 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-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109307644
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C19H17N5O/c25-18(22-13-14-5-9-20-10-6-14)16-7-11-21-19(23-16)24-12-8-15-3-1-2-4-17(15)24/h1-7,9-11H,8,12-13H2,(H,22,25)
InChIKeyHXKTUYUKUYATPP-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-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109305878
2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109312097
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121417
4-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109087630
5-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235536
N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109314422
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311690
4-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210448
2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314412
2-(2,3-dihydroindol-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314411
2-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109368416

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 109307644) is 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1ccncc1)c1ccnc(N2CCc3ccccc32)n1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is HXKTUYUKUYATPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c25-18(22-13-14-5-9-20-10-6-14)16-7-11-21-19(23-16)24-12-8-15-3-1-2-4-17(15)24/h1-7,9-11H,8,12-13H2,(H,22,25).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-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-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).