3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide

C11H9ClN4O — CID 103094260

IUPAC3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ncccc1Cl
InChIInChI=1S/C11H9ClN4O/c12-7-3-1-6-15-10(7)16-11(17)9-8(13)4-2-5-14-9/h1-6H,13H2,(H,15,16,17)
InChIKeyKPDSSJXBOGDFLY-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.96
Rot. Bonds2

About 3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide

3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 103094260) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
PubChem CID103094260
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ncccc1Cl
InChIInChI=1S/C11H9ClN4O/c12-7-3-1-6-15-10(7)16-11(17)9-8(13)4-2-5-14-9/h1-6H,13H2,(H,15,16,17)
InChIKeyKPDSSJXBOGDFLY-UHFFFAOYSA-N
XLogP1.96
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 103093844
4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 104742777
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 103094302
2-amino-N-(3-chloro-2-pyridinyl)-6-ethoxybenzamide
CID 103093864
3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide
CID 104741358
3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
CID 107625379
3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741490
N-(3-amino-2-pyridinyl)-2,5-dichlorobenzamide
CID 113391799
5-amino-2-bromo-N-(3-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103093873
CID 154643103
CID 154643103
3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 113447794

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide (CID 103094260) is 3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1ncccc1Cl.
What is the InChIKey of 3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is KPDSSJXBOGDFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-7-3-1-6-15-10(7)16-11(17)9-8(13)4-2-5-14-9/h1-6H,13H2,(H,15,16,17).
What are the key properties of 3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide?
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 248.67 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 103094260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).