N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide

C17H14N4O — CID 126854250

IUPACN-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccnc1-c1ccncc1)c1ccccc1
InChIInChI=1S/C17H14N4O/c22-17(14-4-2-1-3-5-14)21-12-15-16(20-11-10-19-15)13-6-8-18-9-7-13/h1-11H,12H2,(H,21,22)
InChIKeyCVVTZEDHUGCKGA-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.47
Rot. Bonds4

About N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide

N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide (PubChem CID 126854250) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide
PubChem CID126854250
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC NameN-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccnc1-c1ccncc1)c1ccccc1
InChIInChI=1S/C17H14N4O/c22-17(14-4-2-1-3-5-14)21-12-15-16(20-11-10-19-15)13-6-8-18-9-7-13/h1-11H,12H2,(H,21,22)
InChIKeyCVVTZEDHUGCKGA-UHFFFAOYSA-N
XLogP2.47
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
CID 122162703
4-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162295
1-methyl-6-oxo-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]pyridazine-3-carboxamide
CID 126854260
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
4-(3-aminopyrazin-2-yl)-N-benzylbenzamide
CID 118046170
N-[(5-methyl-4-phenyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
CID 84509149
2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
CID 81317965
N-[(2-phenylphenyl)methyl]pyridine-4-carboxamide
CID 23497805
4-morpholin-4-yl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide
CID 126854137
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246168
3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122276832
3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246680

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide (CID 126854250) is N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide is O=C(NCc1nccnc1-c1ccncc1)c1ccccc1.
What is the InChIKey of N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide?
The InChIKey is CVVTZEDHUGCKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c22-17(14-4-2-1-3-5-14)21-12-15-16(20-11-10-19-15)13-6-8-18-9-7-13/h1-11H,12H2,(H,21,22).
What are the key properties of N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide?
N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide has a molecular weight of 290.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 126854250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).