2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C19H19F5N4O2 — CID 146525710

IUPAC2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCC(F)(F)CC2)ccn1
InChIInChI=1S/C19H19F5N4O2/c1-30-15-10-13(3-6-25-15)27-17(29)14-9-12(19(22,23)24)11-26-16(14)28-7-2-4-18(20,21)5-8-28/h3,6,9-11H,2,4-5,7-8H2,1H3,(H,25,27,29)
InChIKeyXFHOPPLLZVRXMV-UHFFFAOYSA-N
MW430.38 g/mol
LogP4.38
Rot. Bonds4

About 2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525710) has the molecular formula C19H19F5N4O2 and a molecular weight of 430.38 g/mol. Its IUPAC name is 2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525710
Molecular FormulaC19H19F5N4O2
Molecular Weight430.38 g/mol
Exact Mass430.14
IUPAC Name2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCC(F)(F)CC2)ccn1
InChIInChI=1S/C19H19F5N4O2/c1-30-15-10-13(3-6-25-15)27-17(29)14-9-12(19(22,23)24)11-26-16(14)28-7-2-4-18(20,21)5-8-28/h3,6,9-11H,2,4-5,7-8H2,1H3,(H,25,27,29)
InChIKeyXFHOPPLLZVRXMV-UHFFFAOYSA-N
XLogP4.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

Dipyridodiazepinone deriv. 36
CID 463556
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CID 463557
2-Ethyl-5-fluoro-9-methyl-13-[(pyridin-4-yloxy)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470695
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
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6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
N,N-dimethyl-2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10552132
Nevirapin 4-substituted deriv. 4c
CID 464523
Nevirapin 4-substituted deriv. 4r
CID 464538
Nevirapin 4-substituted deriv. 4u
CID 464541
Nevirapin 2,4-Disubstituted deriv. 11b
CID 464557

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525710) is 2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCCC(F)(F)CC2)ccn1.
What is the InChIKey of 2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XFHOPPLLZVRXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N4O2/c1-30-15-10-13(3-6-25-15)27-17(29)14-9-12(19(22,23)24)11-26-16(14)28-7-2-4-18(20,21)5-8-28/h3,6,9-11H,2,4-5,7-8H2,1H3,(H,25,27,29).
What are the key properties of 2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 430.38 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoroazepan-1-yl)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).