N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide

C29H23ClN4O3 — CID 69439470

IUPACN-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide
SMILESNC(Cc1ccccc1)C(=O)N(C(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C29H23ClN4O3/c30-24-18-32-26-17-20(9-14-23(24)26)28(36)34(29(37)25(31)16-19-6-2-1-3-7-19)22-12-10-21(11-13-22)33-15-5-4-8-27(33)35/h1-15,17-18,25,32H,16,31H2
InChIKeyGROVDOXHXHJHPY-UHFFFAOYSA-N
MW510.98 g/mol
LogP4.72
Rot. Bonds6

About N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide

N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide (PubChem CID 69439470) has the molecular formula C29H23ClN4O3 and a molecular weight of 510.98 g/mol. Its IUPAC name is N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide
PubChem CID69439470
Molecular FormulaC29H23ClN4O3
Molecular Weight510.98 g/mol
Exact Mass510.15
IUPAC NameN-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide
SMILESNC(Cc1ccccc1)C(=O)N(C(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C29H23ClN4O3/c30-24-18-32-26-17-20(9-14-23(24)26)28(36)34(29(37)25(31)16-19-6-2-1-3-7-19)22-12-10-21(11-13-22)33-15-5-4-8-27(33)35/h1-15,17-18,25,32H,16,31H2
InChIKeyGROVDOXHXHJHPY-UHFFFAOYSA-N
XLogP4.72
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.98
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide with MolForge

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Related Compounds

3-chloro-N-[[(4S)-1-methylsulfonyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]methylidene]-1H-indole-6-carboxamide
CID 142943446
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-phenylpropanoic acid;chlorobenzene
CID 174438338
2-amino-3-phenylpropanoic acid;1,4-dihydropyrazine-2,3-dione
CID 175303624
1-(4-chlorophenyl)pyridin-2-one
CID 68957992
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;benzene-1,4-dicarboxamide
CID 161287727
benzyl 2-[4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-phenylmethoxycarbonylamino]phenyl]acetate
CID 54257862

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide?
The IUPAC name of N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide (CID 69439470) is N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide is NC(Cc1ccccc1)C(=O)N(C(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide?
The InChIKey is GROVDOXHXHJHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN4O3/c30-24-18-32-26-17-20(9-14-23(24)26)28(36)34(29(37)25(31)16-19-6-2-1-3-7-19)22-12-10-21(11-13-22)33-15-5-4-8-27(33)35/h1-15,17-18,25,32H,16,31H2.
What are the key properties of N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide?
N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide has a molecular weight of 510.98 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-phenylpropanoyl)-3-chloro-N-[4-(2-oxo-1-pyridinyl)phenyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 69439470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).