N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

C19H18N4O — CID 109187835

IUPACN-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C19H18N4O/c24-19(23-12-15-6-2-1-3-7-15)18-10-9-17(14-22-18)21-13-16-8-4-5-11-20-16/h1-11,14,21H,12-13H2,(H,23,24)
InChIKeyQCXBFRZOMUFIDL-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.02
Rot. Bonds6

About N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109187835) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109187835
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C19H18N4O/c24-19(23-12-15-6-2-1-3-7-15)18-10-9-17(14-22-18)21-13-16-8-4-5-11-20-16/h1-11,14,21H,12-13H2,(H,23,24)
InChIKeyQCXBFRZOMUFIDL-UHFFFAOYSA-N
XLogP3.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191023
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879
N-benzyl-N-ethyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109190700
N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346632
N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191121
N-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191075
5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190978
N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109182931
5-(3,4-dichloroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191005
N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191093
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (CID 109187835) is N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is O=C(NCc1ccccc1)c1ccc(NCc2ccccn2)cn1.
What is the InChIKey of N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is QCXBFRZOMUFIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(23-12-15-6-2-1-3-7-15)18-10-9-17(14-22-18)21-13-16-8-4-5-11-20-16/h1-11,14,21H,12-13H2,(H,23,24).
What are the key properties of N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109187835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).