N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide

C15H12N6O — CID 164536999

IUPACN-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(-c2nncnn2)cc1)c1ccccn1
InChIInChI=1S/C15H12N6O/c22-15(13-3-1-2-8-16-13)17-9-11-4-6-12(7-5-11)14-20-18-10-19-21-14/h1-8,10H,9H2,(H,17,22)
InChIKeyBGSSMUJGWNMOMD-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.26
Rot. Bonds4

About N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide

N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 164536999) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID164536999
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC NameN-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(-c2nncnn2)cc1)c1ccccn1
InChIInChI=1S/C15H12N6O/c22-15(13-3-1-2-8-16-13)17-9-11-4-6-12(7-5-11)14-20-18-10-19-21-14/h1-8,10H,9H2,(H,17,22)
InChIKeyBGSSMUJGWNMOMD-UHFFFAOYSA-N
XLogP1.26
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-carbamoylphenyl)methyl]pyridine-2-carboxamide
CID 108743925
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 110794533
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 110793787
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
N-[5-[(4-methylphenyl)methylcarbamoylamino]pentyl]pyridine-2-carboxamide
CID 169317979
N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 110851460
N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
CID 47021287
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide (CID 164536999) is N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide is O=C(NCc1ccc(-c2nncnn2)cc1)c1ccccn1.
What is the InChIKey of N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is BGSSMUJGWNMOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c22-15(13-3-1-2-8-16-13)17-9-11-4-6-12(7-5-11)14-20-18-10-19-21-14/h1-8,10H,9H2,(H,17,22).
What are the key properties of N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide?
N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 164536999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).