N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide

C21H19F2N3O2 — CID 109172961

IUPACN-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)Nc3ccc(F)c(F)c3)ccn2)c1
InChIInChI=1S/C21H19F2N3O2/c1-28-17-4-2-3-14(11-17)7-9-24-20-12-15(8-10-25-20)21(27)26-16-5-6-18(22)19(23)13-16/h2-6,8,10-13H,7,9H2,1H3,(H,24,25)(H,26,27)
InChIKeyXABDFHTXOATAMW-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.28
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide

N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide (PubChem CID 109172961) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
PubChem CID109172961
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC NameN-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)Nc3ccc(F)c(F)c3)ccn2)c1
InChIInChI=1S/C21H19F2N3O2/c1-28-17-4-2-3-14(11-17)7-9-24-20-12-15(8-10-25-20)21(27)26-16-5-6-18(22)19(23)13-16/h2-6,8,10-13H,7,9H2,1H3,(H,24,25)(H,26,27)
InChIKeyXABDFHTXOATAMW-UHFFFAOYSA-N
XLogP4.28
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109172917
N-(4-ethoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172946
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
2-[2-(3-methoxyphenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165037
4-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093066
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109173810
2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109175993
2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109174968
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109173957
N-(furan-2-ylmethyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109169233
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109169514

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide (CID 109172961) is N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide is COc1cccc(CCNc2cc(C(=O)Nc3ccc(F)c(F)c3)ccn2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
The InChIKey is XABDFHTXOATAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-28-17-4-2-3-14(11-17)7-9-24-20-12-15(8-10-25-20)21(27)26-16-5-6-18(22)19(23)13-16/h2-6,8,10-13H,7,9H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide?
N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109172961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).