N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen

C18H22FN3 — CID 177364505

IUPACN-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen
SMILESC=C(C)Cc1ccc(Nc2cc3c(cn2)CCNC3)cc1F.[H][H]
InChIInChI=1S/C18H20FN3.H2/c1-12(2)7-13-3-4-16(9-17(13)19)22-18-8-15-10-20-6-5-14(15)11-21-18;/h3-4,8-9,11,20H,1,5-7,10H2,2H3,(H,21,22);1H
InChIKeyAFBZNFNJZMGLSJ-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.97
Rot. Bonds4

About N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen

N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen (PubChem CID 177364505) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen
PubChem CID177364505
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC NameN-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen
SMILESC=C(C)Cc1ccc(Nc2cc3c(cn2)CCNC3)cc1F.[H][H]
InChIInChI=1S/C18H20FN3.H2/c1-12(2)7-13-3-4-16(9-17(13)19)22-18-8-15-10-20-6-5-14(15)11-21-18;/h3-4,8-9,11,20H,1,5-7,10H2,2H3,(H,21,22);1H
InChIKeyAFBZNFNJZMGLSJ-UHFFFAOYSA-N
XLogP3.97
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine
CID 177364506
methyl 4-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-ylamino)benzoate
CID 170324606
N-[4-(methylsulfonylmethyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine
CID 170324234
methyl 2-[2-fluoro-4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]acetate
CID 177364032
4-[[6-(2-cyanopropan-2-yl)-5-fluoro-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 155203064
4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide
CID 142557248
4-[[6-(2-cyanopropan-2-yl)-5-fluoro-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 155202813
N-[2-[4-[5-[(2,3-difluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrimidin-4-yl]-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 126629912
4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 142557245
7-bromo-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
CID 139035179
7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
CID 118998955
4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 142557648

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen?
The IUPAC name of N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen (CID 177364505) is N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen.
What is the SMILES notation for N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen?
The canonical SMILES for N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen is C=C(C)Cc1ccc(Nc2cc3c(cn2)CCNC3)cc1F.[H][H].
What is the InChIKey of N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen?
The InChIKey is AFBZNFNJZMGLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3.H2/c1-12(2)7-13-3-4-16(9-17(13)19)22-18-8-15-10-20-6-5-14(15)11-21-18;/h3-4,8-9,11,20H,1,5-7,10H2,2H3,(H,21,22);1H.
What are the key properties of N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen?
N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen has a molecular weight of 299.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-3-amine;molecular hydrogen is sourced from PubChem (CID 177364505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).