4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide

C16H16ClF2N3O — CID 56889894

IUPAC4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(NCc2c(F)ccc(Cl)c2F)ccn1
InChIInChI=1S/C16H16ClF2N3O/c1-9(2)22-16(23)14-7-10(5-6-20-14)21-8-11-13(18)4-3-12(17)15(11)19/h3-7,9H,8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyPTOZZMZZOPJHCI-UHFFFAOYSA-N
MW339.77 g/mol
LogP3.76
Rot. Bonds5

About 4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide

4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 56889894) has the molecular formula C16H16ClF2N3O and a molecular weight of 339.77 g/mol. Its IUPAC name is 4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID56889894
Molecular FormulaC16H16ClF2N3O
Molecular Weight339.77 g/mol
Exact Mass339.09
IUPAC Name4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(NCc2c(F)ccc(Cl)c2F)ccn1
InChIInChI=1S/C16H16ClF2N3O/c1-9(2)22-16(23)14-7-10(5-6-20-14)21-8-11-13(18)4-3-12(17)15(11)19/h3-7,9H,8H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyPTOZZMZZOPJHCI-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201372
4-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 56907270
N-[1-(4-chlorophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62175472
4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203069
4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109201470
4-N-(3,4-dichlorophenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078383
4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 56901236
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
N-(2,4-dichlorophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109206008
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213522

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide (CID 56889894) is 4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1cc(NCc2c(F)ccc(Cl)c2F)ccn1.
What is the InChIKey of 4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is PTOZZMZZOPJHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N3O/c1-9(2)22-16(23)14-7-10(5-6-20-14)21-8-11-13(18)4-3-12(17)15(11)19/h3-7,9H,8H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide?
4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 339.77 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 56889894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).