2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide

C18H22N4O — CID 109312097

IUPAC2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C18H22N4O/c1-2-3-6-11-19-17(23)15-9-12-20-18(21-15)22-13-10-14-7-4-5-8-16(14)22/h4-5,7-9,12H,2-3,6,10-11,13H2,1H3,(H,19,23)
InChIKeyGZAUIYAHYDKOEG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.09
Rot. Bonds6

About 2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide

2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide (PubChem CID 109312097) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
PubChem CID109312097
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C18H22N4O/c1-2-3-6-11-19-17(23)15-9-12-20-18(21-15)22-13-10-14-7-4-5-8-16(14)22/h4-5,7-9,12H,2-3,6,10-11,13H2,1H3,(H,19,23)
InChIKeyGZAUIYAHYDKOEG-UHFFFAOYSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307644
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109305878
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696
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-(4-benzylpiperazin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109309418
2-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109299018
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311690
N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109314422
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-pentylpyridine-2-carboxamide
CID 109213863
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313707

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide (CID 109312097) is 2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1ccnc(N2CCc3ccccc32)n1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide?
The InChIKey is GZAUIYAHYDKOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-3-6-11-19-17(23)15-9-12-20-18(21-15)22-13-10-14-7-4-5-8-16(14)22/h4-5,7-9,12H,2-3,6,10-11,13H2,1H3,(H,19,23).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide?
2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109312097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).