4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide

C14H13F2N3O — CID 81239765

IUPAC4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NCc2ccc(F)cc2F)cn1
InChIInChI=1S/C14H13F2N3O/c1-8-4-13(17)11(7-18-8)14(20)19-6-9-2-3-10(15)5-12(9)16/h2-5,7H,6H2,1H3,(H2,17,18)(H,19,20)
InChIKeyYWCPRMUVCPSGMN-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.18
Rot. Bonds3

About 4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide

4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 81239765) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID81239765
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NCc2ccc(F)cc2F)cn1
InChIInChI=1S/C14H13F2N3O/c1-8-4-13(17)11(7-18-8)14(20)19-6-9-2-3-10(15)5-12(9)16/h2-5,7H,6H2,1H3,(H2,17,18)(H,19,20)
InChIKeyYWCPRMUVCPSGMN-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81227233
4-amino-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65360048
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
4-amino-N-(4-fluoro-2-iodophenyl)-6-methylpyridine-3-carboxamide
CID 81245036
4-amino-N,6-dimethylpyridine-3-carboxamide
CID 81236701
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62223612
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 55053425
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide (CID 81239765) is 4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide is Cc1cc(N)c(C(=O)NCc2ccc(F)cc2F)cn1.
What is the InChIKey of 4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is YWCPRMUVCPSGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-8-4-13(17)11(7-18-8)14(20)19-6-9-2-3-10(15)5-12(9)16/h2-5,7H,6H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide?
4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 277.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81239765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).