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

C18H21ClFN3O — CID 109196641

IUPACN-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C18H21ClFN3O/c1-3-9-23(10-4-2)14-6-8-17(21-12-14)18(24)22-13-5-7-16(20)15(19)11-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)
InChIKeyWEQPQSDUBNKWBG-UHFFFAOYSA-N
MW349.84 g/mol
LogP4.75
Rot. Bonds7

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

N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide (PubChem CID 109196641) has the molecular formula C18H21ClFN3O and a molecular weight of 349.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide
PubChem CID109196641
Molecular FormulaC18H21ClFN3O
Molecular Weight349.84 g/mol
Exact Mass349.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C18H21ClFN3O/c1-3-9-23(10-4-2)14-6-8-17(21-12-14)18(24)22-13-5-7-16(20)15(19)11-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)
InChIKeyWEQPQSDUBNKWBG-UHFFFAOYSA-N
XLogP4.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334146
methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109196665
5-(3-chloro-4-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109196558
N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194760
4-N-butyl-2-N-(3-chloro-4-fluorophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109089978
N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197511
1-(3-chloro-4-fluorophenyl)-3-[4-(diethylamino)phenyl]urea
CID 108991877
N-(3-chloro-4-fluorophenyl)-5-(3-methylanilino)pyridine-2-carboxamide
CID 109197376
5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197308
5-anilino-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109197085
5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109199519

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide (CID 109196641) is N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide is CCCN(CCC)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide?
The InChIKey is WEQPQSDUBNKWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O/c1-3-9-23(10-4-2)14-6-8-17(21-12-14)18(24)22-13-5-7-16(20)15(19)11-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109196641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).