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

C23H27FN4O2 — CID 171556200

IUPAC2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCCCC(O)C1C=C(C)C(c2cc3cnc(NC(=O)C4CC4F)cc3nc2C)=CN1
InChIInChI=1S/C23H27FN4O2/c1-4-5-21(29)20-6-12(2)17(11-25-20)15-7-14-10-26-22(9-19(14)27-13(15)3)28-23(30)16-8-18(16)24/h6-7,9-11,16,18,20-21,25,29H,4-5,8H2,1-3H3,(H,26,28,30)
InChIKeyBVPTYZGVMNBDEJ-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.65
Rot. Bonds6

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

2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (PubChem CID 171556200) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-2-methyl-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]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
PubChem CID171556200
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCCCC(O)C1C=C(C)C(c2cc3cnc(NC(=O)C4CC4F)cc3nc2C)=CN1
InChIInChI=1S/C23H27FN4O2/c1-4-5-21(29)20-6-12(2)17(11-25-20)15-7-14-10-26-22(9-19(14)27-13(15)3)28-23(30)16-8-18(16)24/h6-7,9-11,16,18,20-21,25,29H,4-5,8H2,1-3H3,(H,26,28,30)
InChIKeyBVPTYZGVMNBDEJ-UHFFFAOYSA-N
XLogP3.65
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.65
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]-2-methyl-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]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (CID 171556200) is 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-2-methyl-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]-2-methyl-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]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is CCCC(O)C1C=C(C)C(c2cc3cnc(NC(=O)C4CC4F)cc3nc2C)=CN1.
What is the InChIKey of 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The InChIKey is BVPTYZGVMNBDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-4-5-21(29)20-6-12(2)17(11-25-20)15-7-14-10-26-22(9-19(14)27-13(15)3)28-23(30)16-8-18(16)24/h6-7,9-11,16,18,20-21,25,29H,4-5,8H2,1-3H3,(H,26,28,30).
What are the key properties of 2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[3-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.65, 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]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171556200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).