1-benzyl-2-iminopyridine-3-carboxamide

C13H13N3O — CID 127046608

IUPAC1-benzyl-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cccn1Cc1ccccc1
InChIInChI=1S/C13H13N3O/c14-12-11(13(15)17)7-4-8-16(12)9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H2,15,17)/b14-12-
InChIKeyRTZKFSMKJOYJDU-OWBHPGMISA-N
MW227.27 g/mol
LogP1.11
Rot. Bonds3

About 1-benzyl-2-iminopyridine-3-carboxamide

1-benzyl-2-iminopyridine-3-carboxamide (PubChem CID 127046608) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-benzyl-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-iminopyridine-3-carboxamide
PubChem CID127046608
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-benzyl-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cccn1Cc1ccccc1
InChIInChI=1S/C13H13N3O/c14-12-11(13(15)17)7-4-8-16(12)9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H2,15,17)/b14-12-
InChIKeyRTZKFSMKJOYJDU-OWBHPGMISA-N
XLogP1.11
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-iminopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-2-iminopyridine-3-carboxamide (CID 127046608) is 1-benzyl-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-iminopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-iminopyridine-3-carboxamide?
The InChIKey is RTZKFSMKJOYJDU-OWBHPGMISA-N. The full InChI is InChI=1S/C13H13N3O/c14-12-11(13(15)17)7-4-8-16(12)9-10-5-2-1-3-6-10/h1-8,14H,9H2,(H2,15,17)/b14-12-.
What are the key properties of 1-benzyl-2-iminopyridine-3-carboxamide?
1-benzyl-2-iminopyridine-3-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 127046608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).