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

C17H17F2N3O — CID 51356962

IUPAC5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC2CC2)cc(-c2ccc(F)cc2F)c1CN
InChIInChI=1S/C17H17F2N3O/c1-9-14(8-20)13(12-5-2-10(18)6-15(12)19)7-16(21-9)17(23)22-11-3-4-11/h2,5-7,11H,3-4,8,20H2,1H3,(H,22,23)
InChIKeyUKGGQFQSHIXLML-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.69
Rot. Bonds4

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

5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide (PubChem CID 51356962) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide
PubChem CID51356962
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC2CC2)cc(-c2ccc(F)cc2F)c1CN
InChIInChI=1S/C17H17F2N3O/c1-9-14(8-20)13(12-5-2-10(18)6-15(12)19)7-16(21-9)17(23)22-11-3-4-11/h2,5-7,11H,3-4,8,20H2,1H3,(H,22,23)
InChIKeyUKGGQFQSHIXLML-UHFFFAOYSA-N
XLogP2.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.69
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-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide (CID 51356962) is 5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)NC2CC2)cc(-c2ccc(F)cc2F)c1CN.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide?
The InChIKey is UKGGQFQSHIXLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c1-9-14(8-20)13(12-5-2-10(18)6-15(12)19)7-16(21-9)17(23)22-11-3-4-11/h2,5-7,11H,3-4,8,20H2,1H3,(H,22,23).
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide?
5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 2.69, 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-(2,4-difluorophenyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 51356962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).