N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide

C15H15ClFN3O — CID 107531151

IUPACN-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2cc(F)ccc2Cl)cn1
InChIInChI=1S/C15H15ClFN3O/c1-2-7-18-14-6-3-10(9-19-14)15(21)20-13-8-11(17)4-5-12(13)16/h3-6,8-9H,2,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyDWRYXEMNCBEICV-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.95
Rot. Bonds5

About N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide

N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 107531151) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID107531151
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC NameN-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2cc(F)ccc2Cl)cn1
InChIInChI=1S/C15H15ClFN3O/c1-2-7-18-14-6-3-10(9-19-14)15(21)20-13-8-11(17)4-5-12(13)16/h3-6,8-9H,2,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyDWRYXEMNCBEICV-UHFFFAOYSA-N
XLogP3.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166291
N-(2,3-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181665
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107616648
N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166866
3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
CID 113009042
N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 107578414
6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172448
6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide
CID 133302604
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 170126154
methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165128
6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109151662

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide (CID 107531151) is N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)Nc2cc(F)ccc2Cl)cn1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is DWRYXEMNCBEICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-2-7-18-14-6-3-10(9-19-14)15(21)20-13-8-11(17)4-5-12(13)16/h3-6,8-9H,2,7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide?
N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 307.76 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107531151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).