N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

C18H14F2N4O — CID 109213522

IUPACN-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(NCc2ccncc2)ccn1
InChIInChI=1S/C18H14F2N4O/c19-15-2-1-14(9-16(15)20)24-18(25)17-10-13(5-8-22-17)23-11-12-3-6-21-7-4-12/h1-10H,11H2,(H,22,23)(H,24,25)
InChIKeyFCAJMWJBWGDFFI-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.62
Rot. Bonds5

About N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide

N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109213522) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID109213522
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC NameN-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(NCc2ccncc2)ccn1
InChIInChI=1S/C18H14F2N4O/c19-15-2-1-14(9-16(15)20)24-18(25)17-10-13(5-8-22-17)23-11-12-3-6-21-7-4-12/h1-10H,11H2,(H,22,23)(H,24,25)
InChIKeyFCAJMWJBWGDFFI-UHFFFAOYSA-N
XLogP3.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211615
N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202462
4-[(4-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109211927
4-(aminomethyl)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 115116953
4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213474
N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206385
N-(3-chlorophenyl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211561
4-[(4-chlorophenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109211886
N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211921
2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109303743
6-N-(3,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098412
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide (CID 109213522) is N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc(NCc2ccncc2)ccn1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is FCAJMWJBWGDFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-15-2-1-14(9-16(15)20)24-18(25)17-10-13(5-8-22-17)23-11-12-3-6-21-7-4-12/h1-10H,11H2,(H,22,23)(H,24,25).
What are the key properties of N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide?
N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).