4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C22H20F3N5O — CID 118911198

IUPAC4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCc1cc(-c2cc(C(N)=O)nc3c2CCN(Cc2ccnc(C(F)(F)F)c2)C3)ccn1
InChIInChI=1S/C22H20F3N5O/c1-13-8-15(3-6-27-13)17-10-18(21(26)31)29-19-12-30(7-4-16(17)19)11-14-2-5-28-20(9-14)22(23,24)25/h2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,26,31)
InChIKeyNXZFRASMMGYSSZ-UHFFFAOYSA-N
MW427.43 g/mol
LogP3.52
Rot. Bonds4

About 4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911198) has the molecular formula C22H20F3N5O and a molecular weight of 427.43 g/mol. Its IUPAC name is 4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911198
Molecular FormulaC22H20F3N5O
Molecular Weight427.43 g/mol
Exact Mass427.16
IUPAC Name4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESCc1cc(-c2cc(C(N)=O)nc3c2CCN(Cc2ccnc(C(F)(F)F)c2)C3)ccn1
InChIInChI=1S/C22H20F3N5O/c1-13-8-15(3-6-27-13)17-10-18(21(26)31)29-19-12-30(7-4-16(17)19)11-14-2-5-28-20(9-14)22(23,24)25/h2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,26,31)
InChIKeyNXZFRASMMGYSSZ-UHFFFAOYSA-N
XLogP3.52
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911198) is 4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is Cc1cc(-c2cc(C(N)=O)nc3c2CCN(Cc2ccnc(C(F)(F)F)c2)C3)ccn1.
What is the InChIKey of 4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is NXZFRASMMGYSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O/c1-13-8-15(3-6-27-13)17-10-18(21(26)31)29-19-12-30(7-4-16(17)19)11-14-2-5-28-20(9-14)22(23,24)25/h2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,26,31).
What are the key properties of 4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-pyridinyl)-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).