2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine

C20H26FN5 — CID 163826234

IUPAC2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine
SMILESCC1=C(C2=NC3C=NC(N)=CC3C(NC3CCNCC3)=C2)C(F)CC=C1
InChIInChI=1S/C20H26FN5/c1-12-3-2-4-15(21)20(12)17-10-16(25-13-5-7-23-8-6-13)14-9-19(22)24-11-18(14)26-17/h2-3,9-11,13-15,18,23,25H,4-8,22H2,1H3
InChIKeyNZSTWEPORYFFQZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.15
Rot. Bonds3

About 2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine

2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine (PubChem CID 163826234) has the molecular formula C20H26FN5 and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine.

Molecular Properties

Compound Name2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine
PubChem CID163826234
Molecular FormulaC20H26FN5
Molecular Weight355.46 g/mol
Exact Mass355.22
IUPAC Name2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine
SMILESCC1=C(C2=NC3C=NC(N)=CC3C(NC3CCNCC3)=C2)C(F)CC=C1
InChIInChI=1S/C20H26FN5/c1-12-3-2-4-15(21)20(12)17-10-16(25-13-5-7-23-8-6-13)14-9-19(22)24-11-18(14)26-17/h2-3,9-11,13-15,18,23,25H,4-8,22H2,1H3
InChIKeyNZSTWEPORYFFQZ-UHFFFAOYSA-N
XLogP2.15
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine with MolForge

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Related Compounds

6-Fluoro-3-[8-(piperidin-4-ylamino)-4a,8a-dihydroisoquinolin-6-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 70903849
6-[6-(difluoromethyl)-3,4-dihydropyridin-4-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903858
6-[5-(fluoromethyl)-2,3-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70904122
6-[6-(difluoromethyl)-3,4-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70904129
N-[(5Z,6E)-6-(aminomethylidene)-3-[6-(difluoromethyl)-3,4-dihydropyridin-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085330
N-[(5Z,6E)-6-(aminomethylidene)-3-(6-ethyl-5-fluoro-2,3-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085515
6-(6-fluoro-3,4-dihydropyridin-4-yl)-N-(1-sulfanylpiperidin-4-yl)-4a,8a-dihydroisoquinolin-8-amine
CID 89738468
2-Fluoro-6-methyl-5-[1-methyl-8-(piperidin-4-ylamino)-1,8a-dihydroisoquinolin-6-yl]cyclohexa-2,4-diene-1-carbonitrile
CID 143967918
6-(4-fluoro-3,4-dimethyl-3H-pyridin-5-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 143968035
7-(6-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-5-N-piperidin-4-yl-3-N-propan-2-yl-6,7-dihydroisoquinoline-3,5-diamine
CID 156342245
6-[5-(1-fluoro-2-methylprop-2-enyl)-3,4-dihydropyrrol-1-ium-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 163867619
(8aS)-N,N-diethyl-2-[(2R)-2-fluoro-2H-pyridin-5-ylidene]-3,4,4a,5,8,8a-hexahydro-1H-quinolin-6-amine
CID 173518247

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine?
The IUPAC name of 2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine (CID 163826234) is 2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine.
What is the SMILES notation for 2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine?
The canonical SMILES for 2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine is CC1=C(C2=NC3C=NC(N)=CC3C(NC3CCNCC3)=C2)C(F)CC=C1.
What is the InChIKey of 2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine?
The InChIKey is NZSTWEPORYFFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5/c1-12-3-2-4-15(21)20(12)17-10-16(25-13-5-7-23-8-6-13)14-9-19(22)24-11-18(14)26-17/h2-3,9-11,13-15,18,23,25H,4-8,22H2,1H3.
What are the key properties of 2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine?
2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine has a molecular weight of 355.46 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine is sourced from PubChem (CID 163826234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).