5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide

C12H11ClN4O2 — CID 107623030

IUPAC5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(N)cn2)ccc1Cl
InChIInChI=1S/C12H11ClN4O2/c1-19-10-4-7(2-3-8(10)13)17-12(18)9-5-16-11(14)6-15-9/h2-6H,1H3,(H2,14,16)(H,17,18)
InChIKeyLWQIHKSBXPEUSD-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.97
Rot. Bonds3

About 5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide

5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 107623030) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID107623030
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(N)cn2)ccc1Cl
InChIInChI=1S/C12H11ClN4O2/c1-19-10-4-7(2-3-8(10)13)17-12(18)9-5-16-11(14)6-15-9/h2-6H,1H3,(H2,14,16)(H,17,18)
InChIKeyLWQIHKSBXPEUSD-UHFFFAOYSA-N
XLogP1.97
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(4-chloro-3-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107623148
2-amino-N-(4-chloro-3-methoxyphenyl)-6-ethylpyridine-4-carboxamide
CID 107623056
4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 107620644
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
4-amino-N-(4-chloro-3-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107620701
N-(3-bromo-4-methoxyphenyl)-5-chloropyrazine-2-carboxamide
CID 113265025
5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
CID 107300867
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271491
5-amino-N-(4-bromophenyl)pyrazine-2-carboxamide
CID 113381818
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275950
N-(4-chloro-3-methoxyphenyl)-4-(methylamino)benzamide
CID 107623041

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide (CID 107623030) is 5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide is COc1cc(NC(=O)c2cnc(N)cn2)ccc1Cl.
What is the InChIKey of 5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is LWQIHKSBXPEUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-19-10-4-7(2-3-8(10)13)17-12(18)9-5-16-11(14)6-15-9/h2-6H,1H3,(H2,14,16)(H,17,18).
What are the key properties of 5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide?
5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chloro-3-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107623030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).