5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide

C18H19ClFN3O2 — CID 67969231

IUPAC5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2cc(NCC3CCOCC3)ccc2F)c(Cl)cn1
InChIInChI=1S/C18H19ClFN3O2/c19-15-10-23-17(18(21)24)8-13(15)14-7-12(1-2-16(14)20)22-9-11-3-5-25-6-4-11/h1-2,7-8,10-11,22H,3-6,9H2,(H2,21,24)
InChIKeyHZKSWCICDPWHKL-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.48
Rot. Bonds5

About 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide

5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 67969231) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide
PubChem CID67969231
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2cc(NCC3CCOCC3)ccc2F)c(Cl)cn1
InChIInChI=1S/C18H19ClFN3O2/c19-15-10-23-17(18(21)24)8-13(15)14-7-12(1-2-16(14)20)22-9-11-3-5-25-6-4-11/h1-2,7-8,10-11,22H,3-6,9H2,(H2,21,24)
InChIKeyHZKSWCICDPWHKL-UHFFFAOYSA-N
XLogP3.48
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62384448
5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid
CID 115490926
4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 67980208
methyl 3-[[5-chloro-4-[2-chloro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 77401600
2-[5-chloro-4-[4-chloro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[3-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-morpholin-2-ylethanone;2-[5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R)-piperidin-3-yl]ethanone;2-[5-chloro-4-[3-fluoro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3S)-piperidin-3-yl]ethanone
CID 160686892
tert-butyl N-[3-(5-chloro-2-fluoro-4-pyridinyl)-4-fluorophenyl]-N-(oxan-4-ylmethyl)carbamate
CID 67033583
2-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2S)-oxolan-2-yl]ethanone
CID 158548924
4-chloro-3-(oxan-4-ylmethylamino)benzamide
CID 62386664
3-chloro-4-iodo-N-(oxan-4-ylmethyl)aniline
CID 166607236
2-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]ethanone
CID 159888925
5-chloro-2-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62385301
2-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R,5R)-5-(fluoromethyl)pyrrolidin-3-yl]ethanone
CID 160595387

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide (CID 67969231) is 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide is NC(=O)c1cc(-c2cc(NCC3CCOCC3)ccc2F)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is HZKSWCICDPWHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c19-15-10-23-17(18(21)24)8-13(15)14-7-12(1-2-16(14)20)22-9-11-3-5-25-6-4-11/h1-2,7-8,10-11,22H,3-6,9H2,(H2,21,24).
What are the key properties of 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide?
5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-fluoro-5-(oxan-4-ylmethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 67969231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).