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

C13H12N4O — CID 43142516

IUPACN-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(Nc1ncccn1)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H12N4O/c18-12(17-13-15-5-1-6-16-13)10-2-3-11-9(8-10)4-7-14-11/h1-3,5-6,8,14H,4,7H2,(H,15,16,17,18)
InChIKeyMCOCFSSLICTKGU-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.70
Rot. Bonds2

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

N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 43142516) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID43142516
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(Nc1ncccn1)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H12N4O/c18-12(17-13-15-5-1-6-16-13)10-2-3-11-9(8-10)4-7-14-11/h1-3,5-6,8,14H,4,7H2,(H,15,16,17,18)
InChIKeyMCOCFSSLICTKGU-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43704526
N-pyridin-3-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142430
N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
N-(2-chlorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325613
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104618997
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104618763
N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325681
N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43142437
N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 114932174
N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104727171
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325652
N-(1H-indazol-7-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43712758

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide (CID 43142516) is N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide is O=C(Nc1ncccn1)c1ccc2c(c1)CCN2.
What is the InChIKey of N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is MCOCFSSLICTKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-12(17-13-15-5-1-6-16-13)10-2-3-11-9(8-10)4-7-14-11/h1-3,5-6,8,14H,4,7H2,(H,15,16,17,18).
What are the key properties of N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide?
N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 43142516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).