N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C20H18F3N5O3 — CID 166628605

IUPACN-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)Oc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N
InChIInChI=1S/C20H18F3N5O3/c1-11(2)31-15-8-16(25-10-13(15)9-24)27-19(30)28-7-3-4-12-5-6-14(26-18(12)28)17(29)20(21,22)23/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,25,27,30)
InChIKeyDNEPJJIFRIXPKZ-UHFFFAOYSA-N
MW433.39 g/mol
LogP3.87
Rot. Bonds4

About N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166628605) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID166628605
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC NameN-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)Oc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N
InChIInChI=1S/C20H18F3N5O3/c1-11(2)31-15-8-16(25-10-13(15)9-24)27-19(30)28-7-3-4-12-5-6-14(26-18(12)28)17(29)20(21,22)23/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,25,27,30)
InChIKeyDNEPJJIFRIXPKZ-UHFFFAOYSA-N
XLogP3.87
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166628605) is N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N.
What is the InChIKey of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is DNEPJJIFRIXPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c1-11(2)31-15-8-16(25-10-13(15)9-24)27-19(30)28-7-3-4-12-5-6-14(26-18(12)28)17(29)20(21,22)23/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,25,27,30).
What are the key properties of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166628605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).