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

C13H12N4O — CID 107588543

IUPAC(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cncnc1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C13H12N4O/c18-13(16-10-6-14-8-15-7-10)12-5-9-3-1-2-4-11(9)17-12/h1-4,6-8,12,17H,5H2,(H,16,18)/t12-/m0/s1
InChIKeyVKHJXBDQKCDNKA-LBPRGKRZSA-N
MW240.27 g/mol
LogP1.45
Rot. Bonds2

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

(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 107588543) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is (2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID107588543
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cncnc1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C13H12N4O/c18-13(16-10-6-14-8-15-7-10)12-5-9-3-1-2-4-11(9)17-12/h1-4,6-8,12,17H,5H2,(H,16,18)/t12-/m0/s1
InChIKeyVKHJXBDQKCDNKA-LBPRGKRZSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-oxazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76977109
N-thiophen-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 77126351
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
(2S)-N-pyrimidin-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148592
(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148110
(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148170
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-(1-ethylpyrazol-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76893175
methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861747
N-(4-nitrophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216462
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 107701339
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892365

Frequently Asked Questions

What is the IUPAC name of (2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide (CID 107588543) is (2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide is O=C(Nc1cncnc1)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is VKHJXBDQKCDNKA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H12N4O/c18-13(16-10-6-14-8-15-7-10)12-5-9-3-1-2-4-11(9)17-12/h1-4,6-8,12,17H,5H2,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 107588543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).