N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide

C12H10ClN5O2 — CID 103817085

IUPACN-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C12H10ClN5O2/c13-10-6-15-9(5-16-10)11(19)17-7-1-3-8(4-2-7)18-12(14)20/h1-6H,(H,17,19)(H3,14,18,20)
InChIKeyFFBZKKYOBWXUCP-UHFFFAOYSA-N
MW291.70 g/mol
LogP1.87
Rot. Bonds3

About N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide

N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide (PubChem CID 103817085) has the molecular formula C12H10ClN5O2 and a molecular weight of 291.70 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
PubChem CID103817085
Molecular FormulaC12H10ClN5O2
Molecular Weight291.70 g/mol
Exact Mass291.05
IUPAC NameN-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C12H10ClN5O2/c13-10-6-15-9(5-16-10)11(19)17-7-1-3-8(4-2-7)18-12(14)20/h1-6H,(H,17,19)(H3,14,18,20)
InChIKeyFFBZKKYOBWXUCP-UHFFFAOYSA-N
XLogP1.87
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid
CID 107371543
2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803190
2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371486
5-chloro-N-(4-pyrazol-1-ylphenyl)pyrazine-2-carboxamide
CID 107247017
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
CID 107372160
5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 103817189
5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107573378
5-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107371536
N-(2-amino-2-oxoethyl)-5-chloropyrazine-2-carboxamide
CID 107243491

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide (CID 103817085) is N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide is NC(=O)Nc1ccc(NC(=O)c2cnc(Cl)cn2)cc1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide?
The InChIKey is FFBZKKYOBWXUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2/c13-10-6-15-9(5-16-10)11(19)17-7-1-3-8(4-2-7)18-12(14)20/h1-6H,(H,17,19)(H3,14,18,20).
What are the key properties of N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide?
N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide has a molecular weight of 291.70 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide is sourced from PubChem (CID 103817085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).