4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide

C13H11F2N3O — CID 62228128

IUPAC4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCc2ccc(F)cc2F)ccn1
InChIInChI=1S/C13H11F2N3O/c14-9-2-1-8(11(15)5-9)7-18-10-3-4-17-12(6-10)13(16)19/h1-6H,7H2,(H2,16,19)(H,17,18)
InChIKeyANVISPIATFMSFW-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.07
Rot. Bonds4

About 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide

4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide (PubChem CID 62228128) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide
PubChem CID62228128
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCc2ccc(F)cc2F)ccn1
InChIInChI=1S/C13H11F2N3O/c14-9-2-1-8(11(15)5-9)7-18-10-3-4-17-12(6-10)13(16)19/h1-6H,7H2,(H2,16,19)(H,17,18)
InChIKeyANVISPIATFMSFW-UHFFFAOYSA-N
XLogP2.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate
CID 66285458
4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
CID 83113933
4-[(2-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109211770
4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide
CID 61212473
4-(6-hydroxyhexylamino)pyridine-2-carboxamide
CID 104880508
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883
4-[(3-amino-2,2-difluoropropyl)amino]pyridine-2-carboxamide
CID 114384265
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082
4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide
CID 104880016
4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
CID 115366128
4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine
CID 113367849
4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide
CID 167918382

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide (CID 62228128) is 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide is NC(=O)c1cc(NCc2ccc(F)cc2F)ccn1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is ANVISPIATFMSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-9-2-1-8(11(15)5-9)7-18-10-3-4-17-12(6-10)13(16)19/h1-6H,7H2,(H2,16,19)(H,17,18).
What are the key properties of 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide?
4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 62228128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).