N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide

C16H18FN3O — CID 104637909

IUPACN-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(N(CCCN)C(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C16H18FN3O/c1-12-4-2-5-14(10-12)20(9-3-8-18)16(21)15-7-6-13(17)11-19-15/h2,4-7,10-11H,3,8-9,18H2,1H3
InChIKeyFXKXUBGFPRBEMN-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.52
Rot. Bonds5

About N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide

N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 104637909) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID104637909
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(N(CCCN)C(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C16H18FN3O/c1-12-4-2-5-14(10-12)20(9-3-8-18)16(21)15-7-6-13(17)11-19-15/h2,4-7,10-11H,3,8-9,18H2,1H3
InChIKeyFXKXUBGFPRBEMN-UHFFFAOYSA-N
XLogP2.52
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
CID 28766949
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 104606031
ethyl 3-[ethyl-(5-fluoropyridine-2-carbonyl)amino]benzoate
CID 75454549
N-[4-(aminomethyl)phenyl]-5-fluoro-N-propylpyridine-2-carboxamide
CID 104637938
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)furan-3-carboxamide
CID 43135957
N-(3-aminopropyl)-1-methyl-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 106825939
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 62920963

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide (CID 104637909) is N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide is Cc1cccc(N(CCCN)C(=O)c2ccc(F)cn2)c1.
What is the InChIKey of N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is FXKXUBGFPRBEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-12-4-2-5-14(10-12)20(9-3-8-18)16(21)15-7-6-13(17)11-19-15/h2,4-7,10-11H,3,8-9,18H2,1H3.
What are the key properties of N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide?
N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-fluoro-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 104637909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).