N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide

C26H27ClN4O — CID 118928479

IUPACN-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide
SMILESCC(C)[C@@H](CNc1ccc(Cl)cn1)N(C)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H27ClN4O/c1-17(2)22(16-29-23-14-13-19(27)15-28-23)31(3)26(32)24-20-11-7-8-12-21(20)30-25(24)18-9-5-4-6-10-18/h4-15,17,22,30H,16H2,1-3H3,(H,28,29)/t22-/m1/s1
InChIKeyNMHWTKORPUZOBN-JOCHJYFZSA-N
MW446.98 g/mol
LogP6.09
Rot. Bonds7

About N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide

N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide (PubChem CID 118928479) has the molecular formula C26H27ClN4O and a molecular weight of 446.98 g/mol. Its IUPAC name is N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide
PubChem CID118928479
Molecular FormulaC26H27ClN4O
Molecular Weight446.98 g/mol
Exact Mass446.19
IUPAC NameN-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide
SMILESCC(C)[C@@H](CNc1ccc(Cl)cn1)N(C)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H27ClN4O/c1-17(2)22(16-29-23-14-13-19(27)15-28-23)31(3)26(32)24-20-11-7-8-12-21(20)30-25(24)18-9-5-4-6-10-18/h4-15,17,22,30H,16H2,1-3H3,(H,28,29)/t22-/m1/s1
InChIKeyNMHWTKORPUZOBN-JOCHJYFZSA-N
XLogP6.09
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide
CID 131985689
N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3,3-dimethylbutan-2-yl]-N-methyl-2-phenylbenzamide
CID 118917834
N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide
CID 131985638
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740
N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide
CID 152876447
2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one
CID 43140038
5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 79035520
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 25161919
2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 2568914
2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 7858967
3-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanoic acid
CID 119237348
N-(5-chloro-2-pyridinyl)-1-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 86889517

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide?
The IUPAC name of N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide (CID 118928479) is N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide is CC(C)[C@@H](CNc1ccc(Cl)cn1)N(C)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide?
The InChIKey is NMHWTKORPUZOBN-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27ClN4O/c1-17(2)22(16-29-23-14-13-19(27)15-28-23)31(3)26(32)24-20-11-7-8-12-21(20)30-25(24)18-9-5-4-6-10-18/h4-15,17,22,30H,16H2,1-3H3,(H,28,29)/t22-/m1/s1.
What are the key properties of N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide?
N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide has a molecular weight of 446.98 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-3-methylbutan-2-yl]-N-methyl-2-phenyl-1H-indole-3-carboxamide is sourced from PubChem (CID 118928479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).