N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide

C13H14ClN5O — CID 107374336

IUPACN-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2ccc(Cl)cn2)cn1
InChIInChI=1S/C13H14ClN5O/c1-2-5-15-12-8-16-10(7-18-12)13(20)19-11-4-3-9(14)6-17-11/h3-4,6-8H,2,5H2,1H3,(H,15,18)(H,17,19,20)
InChIKeyMNRRYNSPATZIAP-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.60
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide

N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107374336) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107374336
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC NameN-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2ccc(Cl)cn2)cn1
InChIInChI=1S/C13H14ClN5O/c1-2-5-15-12-8-16-10(7-18-12)13(20)19-11-4-3-9(14)6-17-11/h3-4,6-8H,2,5H2,1H3,(H,15,18)(H,17,19,20)
InChIKeyMNRRYNSPATZIAP-UHFFFAOYSA-N
XLogP2.60
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640067
N-(3-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377262
N-(6-methyl-3-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376409
3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
CID 59799292
1-(5-chloro-2-pyridinyl)-3-propylurea
CID 17276170
N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
CID 63210683
5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide
CID 107374526
N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107643075
methyl 4-[[5-(propylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271104
N-(4-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271147
N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375986
N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374127

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide (CID 107374336) is N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)Nc2ccc(Cl)cn2)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is MNRRYNSPATZIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-2-5-15-12-8-16-10(7-18-12)13(20)19-11-4-3-9(14)6-17-11/h3-4,6-8H,2,5H2,1H3,(H,15,18)(H,17,19,20).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide?
N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107374336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).