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

C12H13N5O — CID 61359752

IUPAC5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCc1ccccn1
InChIInChI=1S/C12H13N5O/c13-8-5-10(11(14)18)12(16-6-8)17-7-9-3-1-2-4-15-9/h1-6H,7,13H2,(H2,14,18)(H,16,17)
InChIKeyHVAUXKNOWYOJKL-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.77
Rot. Bonds4

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

5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 61359752) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID61359752
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCc1ccccn1
InChIInChI=1S/C12H13N5O/c13-8-5-10(11(14)18)12(16-6-8)17-7-9-3-1-2-4-15-9/h1-6H,7,13H2,(H2,14,18)(H,16,17)
InChIKeyHVAUXKNOWYOJKL-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

5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
5-amino-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 54914226
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
2-N-(pyridin-2-ylmethyl)pyrimidine-2,5-diamine
CID 61146429
5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide
CID 62057948
5-amino-2-(1-pyridin-2-ylethylamino)pyridine-3-carboxamide
CID 61360352
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carboxamide
CID 54951840
5-amino-2-(2,3-dihydro-1H-inden-2-ylamino)pyridine-3-carboxamide
CID 107844315
3,5-difluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 112675579
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349
5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide
CID 61358020
5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide
CID 106309000

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide (CID 61359752) is 5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1NCc1ccccn1.
What is the InChIKey of 5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is HVAUXKNOWYOJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-8-5-10(11(14)18)12(16-6-8)17-7-9-3-1-2-4-15-9/h1-6H,7,13H2,(H2,14,18)(H,16,17).
What are the key properties of 5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide?
5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-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-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 61359752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).