6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C19H18ClF5N4O2 — CID 87976917

IUPAC6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESNc1[nH]c(=O)c(C(=O)NCC2CCN(C(F)(F)c3ccc(F)c(F)c3F)CC2)cc1Cl
InChIInChI=1S/C19H18ClF5N4O2/c20-12-7-10(18(31)28-16(12)26)17(30)27-8-9-3-5-29(6-4-9)19(24,25)11-1-2-13(21)15(23)14(11)22/h1-2,7,9H,3-6,8H2,(H,27,30)(H3,26,28,31)
InChIKeyJUJACXQMOIKNRO-UHFFFAOYSA-N
MW464.82 g/mol
LogP3.22
Rot. Bonds5

About 6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 87976917) has the molecular formula C19H18ClF5N4O2 and a molecular weight of 464.82 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID87976917
Molecular FormulaC19H18ClF5N4O2
Molecular Weight464.82 g/mol
Exact Mass464.10
IUPAC Name6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESNc1[nH]c(=O)c(C(=O)NCC2CCN(C(F)(F)c3ccc(F)c(F)c3F)CC2)cc1Cl
InChIInChI=1S/C19H18ClF5N4O2/c20-12-7-10(18(31)28-16(12)26)17(30)27-8-9-3-5-29(6-4-9)19(24,25)11-1-2-13(21)15(23)14(11)22/h1-2,7,9H,3-6,8H2,(H,27,30)(H3,26,28,31)
InChIKeyJUJACXQMOIKNRO-UHFFFAOYSA-N
XLogP3.22
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.82
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate
CID 70036260
2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate
CID 22262647
6-amino-5-chloro-2-oxo-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
CID 22262678
6-amino-5-chloro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262585
6-amino-5-chloro-N-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262634
6-amino-5-chloro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262625
6-amino-5-chloro-N-[[1-[[3-(4-fluorophenoxy)phenyl]methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 22262639
6-amino-5-chloro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(bromomethyl)-4-methylbenzene
CID 70038123
6-amino-5-chloro-N-[[1-[6-(methylamino)-6-oxohexyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 70037533
6-amino-5-chloro-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(bromomethyl)-3,5-dimethylbenzene
CID 70035871
6-amino-5-chloro-N-[[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide;1-(2-bromoethyl)naphthalene
CID 70036353
2,3,4-trifluoro-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide
CID 108932810

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 87976917) is 6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is Nc1[nH]c(=O)c(C(=O)NCC2CCN(C(F)(F)c3ccc(F)c(F)c3F)CC2)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JUJACXQMOIKNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF5N4O2/c20-12-7-10(18(31)28-16(12)26)17(30)27-8-9-3-5-29(6-4-9)19(24,25)11-1-2-13(21)15(23)14(11)22/h1-2,7,9H,3-6,8H2,(H,27,30)(H3,26,28,31).
What are the key properties of 6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 464.82 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[[1-[difluoro-(2,3,4-trifluorophenyl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 87976917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).