N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide

C16H17Cl2N5O2 — CID 119326808

IUPACN-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1
InChIInChI=1S/C16H17Cl2N5O2/c1-8(2)13(19)16(25)22-9-5-10(17)14(11(18)6-9)23-15(24)12-7-20-3-4-21-12/h3-8,13H,19H2,1-2H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyJMZIANNRUDWZQN-ZDUSSCGKSA-N
MW382.25 g/mol
LogP2.96
Rot. Bonds5

About N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide

N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide (PubChem CID 119326808) has the molecular formula C16H17Cl2N5O2 and a molecular weight of 382.25 g/mol. Its IUPAC name is N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide
PubChem CID119326808
Molecular FormulaC16H17Cl2N5O2
Molecular Weight382.25 g/mol
Exact Mass381.08
IUPAC NameN-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1
InChIInChI=1S/C16H17Cl2N5O2/c1-8(2)13(19)16(25)22-9-5-10(17)14(11(18)6-9)23-15(24)12-7-20-3-4-21-12/h3-8,13H,19H2,1-2H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyJMZIANNRUDWZQN-ZDUSSCGKSA-N
XLogP2.96
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)pyrazine-2-carboxamide
CID 16770775
N-[2,6-dichloro-4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]pyrazine-2-carboxamide
CID 119789147
(2R)-2-amino-N-(4-bromo-2,6-dichlorophenyl)-3-methylbutanamide
CID 28993455
N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide
CID 20782723
2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
CID 119317714
(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119884719
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide
CID 1108004
(2S)-N-(4-acetamido-3-chlorophenyl)-2-amino-3-methylbutanamide;hydrochloride
CID 119276951
N'-(4-propan-2-ylphenyl)pyrazine-2-carbohydrazide
CID 140930278
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 61179599
2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide (CID 119326808) is N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide is CC(C)[C@H](N)C(=O)Nc1cc(Cl)c(NC(=O)c2cnccn2)c(Cl)c1.
What is the InChIKey of N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide?
The InChIKey is JMZIANNRUDWZQN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17Cl2N5O2/c1-8(2)13(19)16(25)22-9-5-10(17)14(11(18)6-9)23-15(24)12-7-20-3-4-21-12/h3-8,13H,19H2,1-2H3,(H,22,25)(H,23,24)/t13-/m0/s1.
What are the key properties of N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide?
N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide has a molecular weight of 382.25 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2,6-dichlorophenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 119326808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).