5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide

C17H18FN3O — CID 53321201

IUPAC5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC2CC2)cc(-c2ccccc2F)c1CN
InChIInChI=1S/C17H18FN3O/c1-10-14(9-19)13(12-4-2-3-5-15(12)18)8-16(20-10)17(22)21-11-6-7-11/h2-5,8,11H,6-7,9,19H2,1H3,(H,21,22)
InChIKeyYDWISPCYYGCIHW-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.55
Rot. Bonds4

About 5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide

5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide (PubChem CID 53321201) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide
PubChem CID53321201
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC2CC2)cc(-c2ccccc2F)c1CN
InChIInChI=1S/C17H18FN3O/c1-10-14(9-19)13(12-4-2-3-5-15(12)18)8-16(20-10)17(22)21-11-6-7-11/h2-5,8,11H,6-7,9,19H2,1H3,(H,21,22)
InChIKeyYDWISPCYYGCIHW-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide (CID 53321201) is 5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)NC2CC2)cc(-c2ccccc2F)c1CN.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide?
The InChIKey is YDWISPCYYGCIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-10-14(9-19)13(12-4-2-3-5-15(12)18)8-16(20-10)17(22)21-11-6-7-11/h2-5,8,11H,6-7,9,19H2,1H3,(H,21,22).
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide?
5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-4-(2-fluorophenyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 53321201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).