N-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

C16H14ClF3N2O2 — CID 45487802

IUPACN-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C16H14ClF3N2O2/c17-13-4-2-1-3-11(13)9-22-15(23)12-5-6-14(21-10-12)24-8-7-16(18,19)20/h1-6,10H,7-9H2,(H,22,23)
InChIKeyDKAXESBKSVUNGZ-UHFFFAOYSA-N
MW358.75 g/mol
LogP4.00
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (PubChem CID 45487802) has the molecular formula C16H14ClF3N2O2 and a molecular weight of 358.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
PubChem CID45487802
Molecular FormulaC16H14ClF3N2O2
Molecular Weight358.75 g/mol
Exact Mass358.07
IUPAC NameN-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C16H14ClF3N2O2/c17-13-4-2-1-3-11(13)9-22-15(23)12-5-6-14(21-10-12)24-8-7-16(18,19)20/h1-6,10H,7-9H2,(H,22,23)
InChIKeyDKAXESBKSVUNGZ-UHFFFAOYSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ondelopran
CID 10457387
2-(4-Chlorophenoxy)nicotinamide
CID 2774902
6-(4-((Benzylamino)methyl)phenoxy)nicotinamide
CID 44434949
VU0404251
CID 58368068
Hsl-IN-1
CID 132569642
9P7ZX5Bwv8
CID 9904911
N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475365
Nlx204; nlx204
CID 132256735
6-(2,2,2-Trifluoroethoxy)nicotinamide
CID 2727208
2-(3-Chlorophenoxy)nicotinamide
CID 1211466
N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487805
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (CID 45487802) is N-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is O=C(NCc1ccccc1Cl)c1ccc(OCCC(F)(F)F)nc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The InChIKey is DKAXESBKSVUNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O2/c17-13-4-2-1-3-11(13)9-22-15(23)12-5-6-14(21-10-12)24-8-7-16(18,19)20/h1-6,10H,7-9H2,(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide has a molecular weight of 358.75 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 45487802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).