5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide

C13H13ClN4O — CID 61358389

IUPAC5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCc1ccccc1Cl
InChIInChI=1S/C13H13ClN4O/c14-11-4-2-1-3-8(11)6-17-13-10(12(16)19)5-9(15)7-18-13/h1-5,7H,6,15H2,(H2,16,19)(H,17,18)
InChIKeyBMPGDKRIIPWEPY-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.03
Rot. Bonds4

About 5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide

5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 61358389) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID61358389
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCc1ccccc1Cl
InChIInChI=1S/C13H13ClN4O/c14-11-4-2-1-3-8(11)6-17-13-10(12(16)19)5-9(15)7-18-13/h1-5,7H,6,15H2,(H2,16,19)(H,17,18)
InChIKeyBMPGDKRIIPWEPY-UHFFFAOYSA-N
XLogP2.03
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 61357803
5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 61359752
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 112668337
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide
CID 62057948
5-amino-2-(4-chloroanilino)pyridine-3-carboxamide
CID 61358006
5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide
CID 106166474
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 61359759
2-[2-[(2-chlorophenyl)methylamino]phenyl]acetamide
CID 43738427
5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide
CID 61359178

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide (CID 61358389) is 5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1NCc1ccccc1Cl.
What is the InChIKey of 5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is BMPGDKRIIPWEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c14-11-4-2-1-3-8(11)6-17-13-10(12(16)19)5-9(15)7-18-13/h1-5,7H,6,15H2,(H2,16,19)(H,17,18).
What are the key properties of 5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide?
5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 61358389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).