N-phenyl-5-(propylamino)pyrazine-2-carboxamide

C14H16N4O — CID 109271045

IUPACN-phenyl-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C14H16N4O/c1-2-8-15-13-10-16-12(9-17-13)14(19)18-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyUNSZJZLDKKBSMU-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.55
Rot. Bonds5

About N-phenyl-5-(propylamino)pyrazine-2-carboxamide

N-phenyl-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 109271045) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-phenyl-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-(propylamino)pyrazine-2-carboxamide
PubChem CID109271045
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-phenyl-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C14H16N4O/c1-2-8-15-13-10-16-12(9-17-13)14(19)18-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyUNSZJZLDKKBSMU-UHFFFAOYSA-N
XLogP2.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(3-(2H-1,2,3-triazol-2-yl)phenylamino)-5-((1R,2S)-2-aminocyclohexylamino)pyrazine-2-carboxamide
CID 86685547
N-(5-methyl-2-pyridinyl)pyrazine-2-carboxamide
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N-phenylimidazo[1,2-a]pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-phenyl-5-(propylamino)pyrazine-2-carboxamide (CID 109271045) is N-phenyl-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-phenyl-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-phenyl-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)Nc2ccccc2)cn1.
What is the InChIKey of N-phenyl-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is UNSZJZLDKKBSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-8-15-13-10-16-12(9-17-13)14(19)18-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of N-phenyl-5-(propylamino)pyrazine-2-carboxamide?
N-phenyl-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109271045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).