7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one

C21H25FN4O2 — CID 167189107

IUPAC7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one
SMILESCCC(F)Nc1cc2c(cn1)cc(-c1cnc(C(O)CC)cc1C)c(=O)n2C
InChIInChI=1S/C21H25FN4O2/c1-5-18(27)16-7-12(3)15(11-23-16)14-8-13-10-24-20(25-19(22)6-2)9-17(13)26(4)21(14)28/h7-11,18-19,27H,5-6H2,1-4H3,(H,24,25)
InChIKeyOFQJRWUTJLTZFU-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.86
Rot. Bonds6

About 7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one

7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one (PubChem CID 167189107) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one
PubChem CID167189107
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one
SMILESCCC(F)Nc1cc2c(cn1)cc(-c1cnc(C(O)CC)cc1C)c(=O)n2C
InChIInChI=1S/C21H25FN4O2/c1-5-18(27)16-7-12(3)15(11-23-16)14-8-13-10-24-20(25-19(22)6-2)9-17(13)26(4)21(14)28/h7-11,18-19,27H,5-6H2,1-4H3,(H,24,25)
InChIKeyOFQJRWUTJLTZFU-UHFFFAOYSA-N
XLogP3.86
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]formamide
CID 167188310
N-[3-[6-(1-deuterio-1-hydroxybutyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]acetamide
CID 171556549
cis-(1R,2R)-2-fluoro-N-[3-[6-[(1S)-1-hydroxyethyl]-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123775
N-[1-methyl-3-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 166123608
cis-(1R,2R)-N-[3-[6-[(1R)-1-deuterio-1-hydroxybut-3-enyl]-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 171556491
cis-(1S,2S)-2-fluoro-N-[1-methyl-3-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123711
(1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123829
1-[4-methyl-5-[8-(methylamino)imidazo[1,2-a][1,6]naphthyridin-4-yl]-2-pyridinyl]propan-1-ol
CID 170968016
7-chloro-3-[6-(1-deuterio-1-hydroxybut-3-enyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one
CID 171556464
cis-(1S,2S)-2-fluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967871
cis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967810
(1R)-N-[2-ethyl-4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 174205511

Frequently Asked Questions

What is the IUPAC name of 7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one?
The IUPAC name of 7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one (CID 167189107) is 7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one is CCC(F)Nc1cc2c(cn1)cc(-c1cnc(C(O)CC)cc1C)c(=O)n2C.
What is the InChIKey of 7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one?
The InChIKey is OFQJRWUTJLTZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-5-18(27)16-7-12(3)15(11-23-16)14-8-13-10-24-20(25-19(22)6-2)9-17(13)26(4)21(14)28/h7-11,18-19,27H,5-6H2,1-4H3,(H,24,25).
What are the key properties of 7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one?
7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one has a molecular weight of 384.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-fluoropropylamino)-3-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-1-methyl-1,6-naphthyridin-2-one is sourced from PubChem (CID 167189107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).