N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide

C13H12N4O — CID 107588629

IUPACN-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1cncnc1)C1CNc2ccccc21
InChIInChI=1S/C13H12N4O/c18-13(17-9-5-14-8-15-6-9)11-7-16-12-4-2-1-3-10(11)12/h1-6,8,11,16H,7H2,(H,17,18)
InChIKeyDSTQFKCJAPLDFL-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.62
Rot. Bonds2

About N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide

N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 107588629) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID107588629
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(Nc1cncnc1)C1CNc2ccccc21
InChIInChI=1S/C13H12N4O/c18-13(17-9-5-14-8-15-6-9)11-7-16-12-4-2-1-3-10(11)12/h1-6,8,11,16H,7H2,(H,17,18)
InChIKeyDSTQFKCJAPLDFL-UHFFFAOYSA-N
XLogP1.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1H-indole-3-carbonylamino)pyridine-3-carboxylic acid
CID 80563548
N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566319
N-(3-bromophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565871
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565407
N-(3-fluoro-5-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567216
N-(2-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566014
N-(1,2,4-triazin-3-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 114387742
1-(2,3-dihydro-1H-indol-3-yl)-4-pyrimidin-5-ylbutane-1,4-dione
CID 144689521
N-(3-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567176
N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80564486
N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566409
N-(6-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566104

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide (CID 107588629) is N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide is O=C(Nc1cncnc1)C1CNc2ccccc21.
What is the InChIKey of N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is DSTQFKCJAPLDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-13(17-9-5-14-8-15-6-9)11-7-16-12-4-2-1-3-10(11)12/h1-6,8,11,16H,7H2,(H,17,18).
What are the key properties of N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide?
N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-yl-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 107588629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).