2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

C22H25FN4O2 — CID 171556059

IUPAC2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCCCC(O)C1C=C(C)C(c2cnc3cc(NC(=O)C4CC4F)ncc3c2)=CN1
InChIInChI=1S/C22H25FN4O2/c1-3-4-20(28)19-5-12(2)16(11-25-19)13-6-14-10-26-21(8-18(14)24-9-13)27-22(29)15-7-17(15)23/h5-6,8-11,15,17,19-20,25,28H,3-4,7H2,1-2H3,(H,26,27,29)
InChIKeyYPWIDBGOJPSDOX-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.35
Rot. Bonds6

About 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (PubChem CID 171556059) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
PubChem CID171556059
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCCCC(O)C1C=C(C)C(c2cnc3cc(NC(=O)C4CC4F)ncc3c2)=CN1
InChIInChI=1S/C22H25FN4O2/c1-3-4-20(28)19-5-12(2)16(11-25-19)13-6-14-10-26-21(8-18(14)24-9-13)27-22(29)15-7-17(15)23/h5-6,8-11,15,17,19-20,25,28H,3-4,7H2,1-2H3,(H,26,27,29)
InChIKeyYPWIDBGOJPSDOX-UHFFFAOYSA-N
XLogP3.35
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (CID 171556059) is 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is CCCC(O)C1C=C(C)C(c2cnc3cc(NC(=O)C4CC4F)ncc3c2)=CN1.
What is the InChIKey of 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The InChIKey is YPWIDBGOJPSDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-3-4-20(28)19-5-12(2)16(11-25-19)13-6-14-10-26-21(8-18(14)24-9-13)27-22(29)15-7-17(15)23/h5-6,8-11,15,17,19-20,25,28H,3-4,7H2,1-2H3,(H,26,27,29).
What are the key properties of 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171556059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).