2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

C18H17ClFN3O3 — CID 109083201

IUPAC2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCC1CCCO1)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H17ClFN3O3/c19-14-9-12(3-4-15(14)20)23-18(25)16-8-11(5-6-21-16)17(24)22-10-13-2-1-7-26-13/h3-6,8-9,13H,1-2,7,10H2,(H,22,24)(H,23,25)
InChIKeyKUKSXPYPRWRUMF-UHFFFAOYSA-N
MW377.80 g/mol
LogP3.04
Rot. Bonds5

About 2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109083201) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is 2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109083201
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC Name2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCC1CCCO1)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H17ClFN3O3/c19-14-9-12(3-4-15(14)20)23-18(25)16-8-11(5-6-21-16)17(24)22-10-13-2-1-7-26-13/h3-6,8-9,13H,1-2,7,10H2,(H,22,24)(H,23,25)
InChIKeyKUKSXPYPRWRUMF-UHFFFAOYSA-N
XLogP3.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083336
2-N-[4-(diethylamino)phenyl]-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083227
4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083312
4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083381
2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080795
2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
CID 109089398
4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078718
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083250
4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119186214
4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206834
2-fluoro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 55014520
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109083201) is 2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is O=C(NCC1CCCO1)c1ccnc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is KUKSXPYPRWRUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c19-14-9-12(3-4-15(14)20)23-18(25)16-8-11(5-6-21-16)17(24)22-10-13-2-1-7-26-13/h3-6,8-9,13H,1-2,7,10H2,(H,22,24)(H,23,25).
What are the key properties of 2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 377.80 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-fluorophenyl)-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).