N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide

C15H15ClFN3O — CID 107370428

IUPACN-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C15H15ClFN3O/c1-2-4-18-12-3-5-19-14(9-12)15(21)20-13-7-10(16)6-11(17)8-13/h3,5-9H,2,4H2,1H3,(H,18,19)(H,20,21)
InChIKeyWYERSMYJLDTYLT-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.95
Rot. Bonds5

About N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide

N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 107370428) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID107370428
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC NameN-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C15H15ClFN3O/c1-2-4-18-12-3-5-19-14(9-12)15(21)20-13-7-10(16)6-11(17)8-13/h3,5-9H,2,4H2,1H3,(H,18,19)(H,20,21)
InChIKeyWYERSMYJLDTYLT-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-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide
CID 109217686
N-(3,5-dichlorophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62172602
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107578587
N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201249
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 107370476
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
N-(2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166215
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 63499869
N-(2-bromo-4-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166813
4-(propylamino)-N-pyridin-2-ylpyridine-2-carboxamide
CID 55042694

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide (CID 107370428) is N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)Nc2cc(F)cc(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is WYERSMYJLDTYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-2-4-18-12-3-5-19-14(9-12)15(21)20-13-7-10(16)6-11(17)8-13/h3,5-9H,2,4H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide?
N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-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-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 107370428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).