N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide

C18H19Cl2N3O2 — CID 71105595

IUPACN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(Cl)c(-c2cccc(Cl)c2)n1)C(N)=O
InChIInChI=1S/C18H19Cl2N3O2/c1-10(2)8-15(17(21)24)23-18(25)14-7-6-13(20)16(22-14)11-4-3-5-12(19)9-11/h3-7,9-10,15H,8H2,1-2H3,(H2,21,24)(H,23,25)/t15-/m0/s1
InChIKeyBEXALTCHKWQAJW-HNNXBMFYSA-N
MW380.28 g/mol
LogP3.69
Rot. Bonds6

About N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide

N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide (PubChem CID 71105595) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide
PubChem CID71105595
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(Cl)c(-c2cccc(Cl)c2)n1)C(N)=O
InChIInChI=1S/C18H19Cl2N3O2/c1-10(2)8-15(17(21)24)23-18(25)14-7-6-13(20)16(22-14)11-4-3-5-12(19)9-11/h3-7,9-10,15H,8H2,1-2H3,(H2,21,24)(H,23,25)/t15-/m0/s1
InChIKeyBEXALTCHKWQAJW-HNNXBMFYSA-N
XLogP3.69
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide (CID 71105595) is N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide is CC(C)C[C@H](NC(=O)c1ccc(Cl)c(-c2cccc(Cl)c2)n1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide?
The InChIKey is BEXALTCHKWQAJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-10(2)8-15(17(21)24)23-18(25)14-7-6-13(20)16(22-14)11-4-3-5-12(19)9-11/h3-7,9-10,15H,8H2,1-2H3,(H2,21,24)(H,23,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide?
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide has a molecular weight of 380.28 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-5-chloro-6-(3-chlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).