5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

C12H13N5O — CID 114405316

IUPAC5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(NCc2cccnc2)n1
InChIInChI=1S/C12H13N5O/c13-9-3-4-10(11(14)18)17-12(9)16-7-8-2-1-5-15-6-8/h1-6H,7,13H2,(H2,14,18)(H,16,17)
InChIKeyLYXRUGJFCYRMDV-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.77
Rot. Bonds4

About 5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 114405316) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID114405316
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(NCc2cccnc2)n1
InChIInChI=1S/C12H13N5O/c13-9-3-4-10(11(14)18)17-12(9)16-7-8-2-1-5-15-6-8/h1-6H,7,13H2,(H2,14,18)(H,16,17)
InChIKeyLYXRUGJFCYRMDV-UHFFFAOYSA-N
XLogP0.77
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 79005962
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-2-carboxamide
CID 114405461
5-amino-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide
CID 114406194
6-[2-(3-fluorophenyl)ethylamino]-5-N-(pyridin-3-ylmethyl)pyridine-2,5-dicarboxamide
CID 59738255
4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 80773541
5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
CID 114405610
6-(2-acetamidoethylamino)-5-aminopyridine-2-carboxamide
CID 114405486
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
methyl 4-amino-3-(pyridin-3-ylmethylamino)benzoate
CID 82784968
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
ethyl 4-amino-3-(pyridin-3-ylmethylamino)benzoate
CID 82784814

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (CID 114405316) is 5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is NC(=O)c1ccc(N)c(NCc2cccnc2)n1.
What is the InChIKey of 5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is LYXRUGJFCYRMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-9-3-4-10(11(14)18)17-12(9)16-7-8-2-1-5-15-6-8/h1-6H,7,13H2,(H2,14,18)(H,16,17).
What are the key properties of 5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 114405316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).