N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide

C19H21F2N3O2 — CID 126768224

IUPACN-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
SMILESO=C(CCc1cncc(F)c1)Nc1ccc(NCC2CCCO2)c(F)c1
InChIInChI=1S/C19H21F2N3O2/c20-14-8-13(10-22-11-14)3-6-19(25)24-15-4-5-18(17(21)9-15)23-12-16-2-1-7-26-16/h4-5,8-11,16,23H,1-3,6-7,12H2,(H,24,25)
InChIKeyCSIYVVGBRKCQQU-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.52
Rot. Bonds7

About N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide

N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide (PubChem CID 126768224) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
PubChem CID126768224
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
SMILESO=C(CCc1cncc(F)c1)Nc1ccc(NCC2CCCO2)c(F)c1
InChIInChI=1S/C19H21F2N3O2/c20-14-8-13(10-22-11-14)3-6-19(25)24-15-4-5-18(17(21)9-15)23-12-16-2-1-7-26-16/h4-5,8-11,16,23H,1-3,6-7,12H2,(H,24,25)
InChIKeyCSIYVVGBRKCQQU-UHFFFAOYSA-N
XLogP3.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide 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

7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide
CID 119892317
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide
CID 95774376
2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide
CID 97309960
1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119892314
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119892357
4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119186214
3-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methylbutanamide;dihydrochloride
CID 120504135
2-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800997
1-cyano-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclohexane-1-carboxamide
CID 56794269
3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide
CID 95633182
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119892331
N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide
CID 65155549

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide?
The IUPAC name of N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide (CID 126768224) is N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide.
What is the SMILES notation for N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide?
The canonical SMILES for N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide is O=C(CCc1cncc(F)c1)Nc1ccc(NCC2CCCO2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide?
The InChIKey is CSIYVVGBRKCQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c20-14-8-13(10-22-11-14)3-6-19(25)24-15-4-5-18(17(21)9-15)23-12-16-2-1-7-26-16/h4-5,8-11,16,23H,1-3,6-7,12H2,(H,24,25).
What are the key properties of N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide?
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide has a molecular weight of 361.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide is sourced from PubChem (CID 126768224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).