2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide

C17H19FN4O2 — CID 120946923

IUPAC2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C17H19FN4O2/c18-13-5-1-2-6-14(13)22-16-12(4-3-7-20-16)17(24)21-9-11-8-19-10-15(11)23/h1-7,11,15,19,23H,8-10H2,(H,20,22)(H,21,24)
InChIKeyFNCUFKWWGRVXOE-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.27
Rot. Bonds5

About 2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide

2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 120946923) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID120946923
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C17H19FN4O2/c18-13-5-1-2-6-14(13)22-16-12(4-3-7-20-16)17(24)21-9-11-8-19-10-15(11)23/h1-7,11,15,19,23H,8-10H2,(H,20,22)(H,21,24)
InChIKeyFNCUFKWWGRVXOE-UHFFFAOYSA-N
XLogP1.27
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-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

2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 119444821
N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 119625766
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate
CID 134008874
2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1441150
2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride
CID 120890702
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848
2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944140
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide
CID 47142435

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide (CID 120946923) is 2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide is O=C(NCC1CNCC1O)c1cccnc1Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is FNCUFKWWGRVXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-5-1-2-6-14(13)22-16-12(4-3-7-20-16)17(24)21-9-11-8-19-10-15(11)23/h1-7,11,15,19,23H,8-10H2,(H,20,22)(H,21,24).
What are the key properties of 2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 120946923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).