1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide

C13H17F2N3O2 — CID 176972584

IUPAC1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc(CNCCC(F)F)cn(C2CC2)c1=O
InChIInChI=1S/C13H17F2N3O2/c14-11(15)3-4-17-6-8-5-10(12(16)19)13(20)18(7-8)9-1-2-9/h5,7,9,11,17H,1-4,6H2,(H2,16,19)
InChIKeyDPCYZTCXNIJEKJ-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.03
Rot. Bonds7

About 1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide

1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 176972584) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide
PubChem CID176972584
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc(CNCCC(F)F)cn(C2CC2)c1=O
InChIInChI=1S/C13H17F2N3O2/c14-11(15)3-4-17-6-8-5-10(12(16)19)13(20)18(7-8)9-1-2-9/h5,7,9,11,17H,1-4,6H2,(H2,16,19)
InChIKeyDPCYZTCXNIJEKJ-UHFFFAOYSA-N
XLogP1.03
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide (CID 176972584) is 1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide is NC(=O)c1cc(CNCCC(F)F)cn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is DPCYZTCXNIJEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c14-11(15)3-4-17-6-8-5-10(12(16)19)13(20)18(7-8)9-1-2-9/h5,7,9,11,17H,1-4,6H2,(H2,16,19).
What are the key properties of 1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide?
1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[(3,3-difluoropropylamino)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 176972584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).