N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide

C15H18F3N3O — CID 136573766

IUPACN-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide
SMILESO=C(CN1CCc2ncc(C(F)(F)F)cc2C1)NCC1CC1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)12-5-11-8-21(4-3-13(11)19-7-12)9-14(22)20-6-10-1-2-10/h5,7,10H,1-4,6,8-9H2,(H,20,22)
InChIKeyPTCGBQNFJTVIPR-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.98
Rot. Bonds4

About N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide

N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide (PubChem CID 136573766) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide
PubChem CID136573766
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC NameN-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide
SMILESO=C(CN1CCc2ncc(C(F)(F)F)cc2C1)NCC1CC1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)12-5-11-8-21(4-3-13(11)19-7-12)9-14(22)20-6-10-1-2-10/h5,7,10H,1-4,6,8-9H2,(H,20,22)
InChIKeyPTCGBQNFJTVIPR-UHFFFAOYSA-N
XLogP1.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide (CID 136573766) is N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide is O=C(CN1CCc2ncc(C(F)(F)F)cc2C1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide?
The InChIKey is PTCGBQNFJTVIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c16-15(17,18)12-5-11-8-21(4-3-13(11)19-7-12)9-14(22)20-6-10-1-2-10/h5,7,10H,1-4,6,8-9H2,(H,20,22).
What are the key properties of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide?
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide has a molecular weight of 313.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]acetamide is sourced from PubChem (CID 136573766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).