N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide

C15H18N6O — CID 53164765

IUPACN-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnc(N2CCCCCC2)nc1)c1cnccn1
InChIInChI=1S/C15H18N6O/c22-14(13-11-16-5-6-17-13)20-12-9-18-15(19-10-12)21-7-3-1-2-4-8-21/h5-6,9-11H,1-4,7-8H2,(H,20,22)
InChIKeyRZEPAUZJVLYJPQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.90
Rot. Bonds3

About N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide

N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide (PubChem CID 53164765) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
PubChem CID53164765
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnc(N2CCCCCC2)nc1)c1cnccn1
InChIInChI=1S/C15H18N6O/c22-14(13-11-16-5-6-17-13)20-12-9-18-15(19-10-12)21-7-3-1-2-4-8-21/h5-6,9-11H,1-4,7-8H2,(H,20,22)
InChIKeyRZEPAUZJVLYJPQ-UHFFFAOYSA-N
XLogP1.90
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
CID 122299597
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978
N-[2-(azepan-1-yl)pyrimidin-5-yl]-6-chloropyridine-3-carboxamide
CID 53164742
5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
CID 53164697
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298612
N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide
CID 122298631
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122298311
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-carboxamide
CID 71789966
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide (CID 53164765) is N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide is O=C(Nc1cnc(N2CCCCCC2)nc1)c1cnccn1.
What is the InChIKey of N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide?
The InChIKey is RZEPAUZJVLYJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c22-14(13-11-16-5-6-17-13)20-12-9-18-15(19-10-12)21-7-3-1-2-4-8-21/h5-6,9-11H,1-4,7-8H2,(H,20,22).
What are the key properties of N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide?
N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53164765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).