N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide

C15H15ClN4O — CID 122516746

IUPACN-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nccnc1NCC1CC1
InChIInChI=1S/C15H15ClN4O/c16-11-3-5-12(6-4-11)20-15(21)13-14(18-8-7-17-13)19-9-10-1-2-10/h3-8,10H,1-2,9H2,(H,18,19)(H,20,21)
InChIKeyQVQIJNSNWSFCQQ-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.20
Rot. Bonds5

About N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide

N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide (PubChem CID 122516746) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide
PubChem CID122516746
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC NameN-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nccnc1NCC1CC1
InChIInChI=1S/C15H15ClN4O/c16-11-3-5-12(6-4-11)20-15(21)13-14(18-8-7-17-13)19-9-10-1-2-10/h3-8,10H,1-2,9H2,(H,18,19)(H,20,21)
InChIKeyQVQIJNSNWSFCQQ-UHFFFAOYSA-N
XLogP3.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
CID 119478351
3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide
CID 120947355
3-[(4-hydroxycyclohexyl)methylamino]pyrazine-2-carboxylic acid
CID 114148596
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride
CID 119412850
4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride
CID 53249942
N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide
CID 124985334
3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 162597047
3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
CID 59799292
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578
3-[4-(aminomethyl)phenyl]-N-(4-chlorophenyl)-6-(piperidin-4-ylmethylamino)pyrazine-2-carboxamide
CID 164622258
2-(piperidin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 122516005
3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide
CID 174461676

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide (CID 122516746) is N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1nccnc1NCC1CC1.
What is the InChIKey of N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide?
The InChIKey is QVQIJNSNWSFCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-11-3-5-12(6-4-11)20-15(21)13-14(18-8-7-17-13)19-9-10-1-2-10/h3-8,10H,1-2,9H2,(H,18,19)(H,20,21).
What are the key properties of N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide?
N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 122516746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).