N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide

C23H20N4O2S — CID 69307077

IUPACN-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide
SMILESNC(=O)C(CSc1ccccc1)NC(=O)c1ccc2[nH]c(-c3ccncc3)cc2c1
InChIInChI=1S/C23H20N4O2S/c24-22(28)21(14-30-18-4-2-1-3-5-18)27-23(29)16-6-7-19-17(12-16)13-20(26-19)15-8-10-25-11-9-15/h1-13,21,26H,14H2,(H2,24,28)(H,27,29)
InChIKeyNQFPEVUXSAVPQV-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.61
Rot. Bonds7

About N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide

N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide (PubChem CID 69307077) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide
PubChem CID69307077
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide
SMILESNC(=O)C(CSc1ccccc1)NC(=O)c1ccc2[nH]c(-c3ccncc3)cc2c1
InChIInChI=1S/C23H20N4O2S/c24-22(28)21(14-30-18-4-2-1-3-5-18)27-23(29)16-6-7-19-17(12-16)13-20(26-19)15-8-10-25-11-9-15/h1-13,21,26H,14H2,(H2,24,28)(H,27,29)
InChIKeyNQFPEVUXSAVPQV-UHFFFAOYSA-N
XLogP3.61
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685925
N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59880041
1-(2-phenyl-1H-indol-5-yl)ethanone
CID 44542857
N-[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59879984
2-phenyl-1H-indole-6-carboxamide
CID 69443786
methyl 2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]-3-pyrimidin-2-ylsulfanylpropanoate
CID 18685915
N-[1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685953
N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685990
methyl 2-[[2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carbonyl]amino]-3-[(4-phenylpyrimidin-2-yl)amino]propanoate
CID 69380497
N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685998
N-[1-amino-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18686024
N-[2-[4-(pyridine-4-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10002974

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide (CID 69307077) is N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide is NC(=O)C(CSc1ccccc1)NC(=O)c1ccc2[nH]c(-c3ccncc3)cc2c1.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide?
The InChIKey is NQFPEVUXSAVPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c24-22(28)21(14-30-18-4-2-1-3-5-18)27-23(29)16-6-7-19-17(12-16)13-20(26-19)15-8-10-25-11-9-15/h1-13,21,26H,14H2,(H2,24,28)(H,27,29).
What are the key properties of N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide?
N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylsulfanylpropan-2-yl)-2-pyridin-4-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 69307077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).