N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide

C16H16FN3O — CID 104637940

IUPACN-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide
SMILESNCc1ccc(N(C(=O)c2ccc(F)cn2)C2CC2)cc1
InChIInChI=1S/C16H16FN3O/c17-12-3-8-15(19-10-12)16(21)20(14-6-7-14)13-4-1-11(9-18)2-5-13/h1-5,8,10,14H,6-7,9,18H2
InChIKeyDZIASIFIFUMMAI-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.49
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide

N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide (PubChem CID 104637940) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide
PubChem CID104637940
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide
SMILESNCc1ccc(N(C(=O)c2ccc(F)cn2)C2CC2)cc1
InChIInChI=1S/C16H16FN3O/c17-12-3-8-15(19-10-12)16(21)20(14-6-7-14)13-4-1-11(9-18)2-5-13/h1-5,8,10,14H,6-7,9,18H2
InChIKeyDZIASIFIFUMMAI-UHFFFAOYSA-N
XLogP2.49
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide
CID 43276062
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43276034
N-[4-(aminomethyl)phenyl]-5-fluoro-N-propylpyridine-2-carboxamide
CID 104637938
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-1-methylimidazole-4-carboxamide
CID 107970828
5-(aminomethyl)-N-(4-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 63723051
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-2-carboxamide
CID 104639321
5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 63723702
N-(4-aminocyclohexyl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 104637892
N-(2-chloroethyl)-N-cyclobutyl-5-fluoropyridine-2-carboxamide
CID 102872801
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide
CID 104639467
ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
CID 43276107
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide (CID 104637940) is N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide is NCc1ccc(N(C(=O)c2ccc(F)cn2)C2CC2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide?
The InChIKey is DZIASIFIFUMMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-12-3-8-15(19-10-12)16(21)20(14-6-7-14)13-4-1-11(9-18)2-5-13/h1-5,8,10,14H,6-7,9,18H2.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide?
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-cyclopropyl-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104637940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).