N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide

C14H18FN3O — CID 175565401

IUPACN-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NC1CC1)C1=CC=C(C2=CCNCC2)C(F)N1
InChIInChI=1S/C14H18FN3O/c15-13-11(9-5-7-16-8-6-9)3-4-12(18-13)14(19)17-10-1-2-10/h3-5,10,13,16,18H,1-2,6-8H2,(H,17,19)
InChIKeyBMFMORGXJIXREM-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.89
Rot. Bonds3

About N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide

N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (PubChem CID 175565401) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
PubChem CID175565401
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESO=C(NC1CC1)C1=CC=C(C2=CCNCC2)C(F)N1
InChIInChI=1S/C14H18FN3O/c15-13-11(9-5-7-16-8-6-9)3-4-12(18-13)14(19)17-10-1-2-10/h3-5,10,13,16,18H,1-2,6-8H2,(H,17,19)
InChIKeyBMFMORGXJIXREM-UHFFFAOYSA-N
XLogP0.89
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (CID 175565401) is N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is O=C(NC1CC1)C1=CC=C(C2=CCNCC2)C(F)N1.
What is the InChIKey of N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The InChIKey is BMFMORGXJIXREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-13-11(9-5-7-16-8-6-9)3-4-12(18-13)14(19)17-10-1-2-10/h3-5,10,13,16,18H,1-2,6-8H2,(H,17,19).
What are the key properties of N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 175565401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).