4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid

C18H18FN3O4 — CID 119186214

IUPAC4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(NCC2CCCO2)c(F)c1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C18H18FN3O4/c19-14-9-12(3-4-15(14)21-10-13-2-1-7-26-13)22-17(23)11-5-6-20-16(8-11)18(24)25/h3-6,8-9,13,21H,1-2,7,10H2,(H,22,23)(H,24,25)
InChIKeyIWYZRWJOUCPJJQ-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.76
Rot. Bonds6

About 4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid

4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119186214) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is 4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119186214
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC Name4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(NCC2CCCO2)c(F)c1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C18H18FN3O4/c19-14-9-12(3-4-15(14)21-10-13-2-1-7-26-13)22-17(23)11-5-6-20-16(8-11)18(24)25/h3-6,8-9,13,21H,1-2,7,10H2,(H,22,23)(H,24,25)
InChIKeyIWYZRWJOUCPJJQ-UHFFFAOYSA-N
XLogP2.76
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide
CID 95633182
2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083201
4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730089
4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083312
1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119892314
2-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800997
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 99626102
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119892331
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119892357
7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide
CID 119892317

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 119186214) is 4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid is O=C(Nc1ccc(NCC2CCCO2)c(F)c1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is IWYZRWJOUCPJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c19-14-9-12(3-4-15(14)21-10-13-2-1-7-26-13)22-17(23)11-5-6-20-16(8-11)18(24)25/h3-6,8-9,13,21H,1-2,7,10H2,(H,22,23)(H,24,25).
What are the key properties of 4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid?
4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 359.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119186214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).