N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide

C18H14F3N5O — CID 70235259

IUPACN-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide
SMILESNc1ncccc1NCc1cc(NC(=O)c2ncc(F)cc2F)ccc1F
InChIInChI=1S/C18H14F3N5O/c19-11-7-14(21)16(25-9-11)18(27)26-12-3-4-13(20)10(6-12)8-24-15-2-1-5-23-17(15)22/h1-7,9,24H,8H2,(H2,22,23)(H,26,27)
InChIKeyVKMMMFJRZRQKHC-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.34
Rot. Bonds5

About N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide

N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide (PubChem CID 70235259) has the molecular formula C18H14F3N5O and a molecular weight of 373.34 g/mol. Its IUPAC name is N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide
PubChem CID70235259
Molecular FormulaC18H14F3N5O
Molecular Weight373.34 g/mol
Exact Mass373.12
IUPAC NameN-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide
SMILESNc1ncccc1NCc1cc(NC(=O)c2ncc(F)cc2F)ccc1F
InChIInChI=1S/C18H14F3N5O/c19-11-7-14(21)16(25-9-11)18(27)26-12-3-4-13(20)10(6-12)8-24-15-2-1-5-23-17(15)22/h1-7,9,24H,8H2,(H2,22,23)(H,26,27)
InChIKeyVKMMMFJRZRQKHC-UHFFFAOYSA-N
XLogP3.34
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-2,4-dichlorobenzamide
CID 70233646
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-5-methylsulfanylpyrazine-2-carboxamide
CID 70235300
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3-methylfuran-2-carboxamide
CID 45381482
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-5-(2-methoxyethoxy)pyridine-2-carboxamide
CID 70234536
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide
CID 70234157
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 70233497
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-5-(2-ethoxyethoxy)pyrazine-2-carboxamide
CID 70235085
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-5-[(E)-but-2-enoxy]pyrazine-2-carboxamide
CID 70233657
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-5-(4-methoxybut-2-ynoxy)pyrazine-2-carboxamide
CID 70235180
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-chloropyridine-2-carboxamide
CID 70233906
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(5-methylsulfanylpyrazin-2-yl)ethanone
CID 58449335
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3,5-dimethoxypyridine-2-carboxamide
CID 70234636

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide?
The IUPAC name of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide (CID 70235259) is N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide is Nc1ncccc1NCc1cc(NC(=O)c2ncc(F)cc2F)ccc1F.
What is the InChIKey of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide?
The InChIKey is VKMMMFJRZRQKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O/c19-11-7-14(21)16(25-9-11)18(27)26-12-3-4-13(20)10(6-12)8-24-15-2-1-5-23-17(15)22/h1-7,9,24H,8H2,(H2,22,23)(H,26,27).
What are the key properties of N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide?
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide has a molecular weight of 373.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide is sourced from PubChem (CID 70235259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).