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

C12H16FN3O — CID 175565379

IUPAC5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESCNC(=O)C1=C(F)C=C(C2=CCNCC2)CN1
InChIInChI=1S/C12H16FN3O/c1-14-12(17)11-10(13)6-9(7-16-11)8-2-4-15-5-3-8/h2,6,15-16H,3-5,7H2,1H3,(H,14,17)
InChIKeyQJDZABYCNNDHHH-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.36
Rot. Bonds2

About 5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide

5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (PubChem CID 175565379) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
PubChem CID175565379
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
SMILESCNC(=O)C1=C(F)C=C(C2=CCNCC2)CN1
InChIInChI=1S/C12H16FN3O/c1-14-12(17)11-10(13)6-9(7-16-11)8-2-4-15-5-3-8/h2,6,15-16H,3-5,7H2,1H3,(H,14,17)
InChIKeyQJDZABYCNNDHHH-UHFFFAOYSA-N
XLogP0.36
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4,7,8-Hexahydro-1,7-naphthyridin-8-one hydrochloride
CID 122164536
1,2,3,4,7,8-Hexahydro-1,7-naphthyridin-8-one
CID 84649420
4-(6-Fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3-dihydropyridin-6-one
CID 89513581
10-fluoro-3,4,5a,6,7,8-hexahydro-2H-pyrazino[1,2-a]indol-1-one
CID 89542654
(4Z)-N-(2,5-diaminopentyl)-4-[2-(4-fluorocyclohexa-1,3-dien-1-yl)prop-2-enylidene]-5-methylidene-1H-pyrrole-2-carboxamide
CID 142426035
(6E)-6-[(E)-3-fluoro-7-(methylamino)hept-2-en-4-ylidene]-1-methyl-5-methylidenepyridin-2-one
CID 169624032
2-Fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175516729
2-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175516740
2-(difluoromethyl)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175516766
N-(3,3-difluorocyclobutyl)-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175565381
N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175565382
N-cyclopropyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175565401

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of 5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide (CID 175565379) is 5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for 5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for 5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is CNC(=O)C1=C(F)C=C(C2=CCNCC2)CN1.
What is the InChIKey of 5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
The InChIKey is QJDZABYCNNDHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-14-12(17)11-10(13)6-9(7-16-11)8-2-4-15-5-3-8/h2,6,15-16H,3-5,7H2,1H3,(H,14,17).
What are the key properties of 5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide?
5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 175565379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).