N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide

C22H24F3N7O — CID 138589464

IUPACN-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide
SMILESCn1cc(-c2cnc3cnc(NC(=O)C4CCN(CC5(C(F)(F)F)CC5)CC4)cc3c2)nn1
InChIInChI=1S/C22H24F3N7O/c1-31-12-18(29-30-31)16-8-15-9-19(27-11-17(15)26-10-16)28-20(33)14-2-6-32(7-3-14)13-21(4-5-21)22(23,24)25/h8-12,14H,2-7,13H2,1H3,(H,27,28,33)
InChIKeyAWIBTYVWNGYQCI-UHFFFAOYSA-N
MW459.48 g/mol
LogP3.42
Rot. Bonds5

About N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide

N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide (PubChem CID 138589464) has the molecular formula C22H24F3N7O and a molecular weight of 459.48 g/mol. Its IUPAC name is N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide
PubChem CID138589464
Molecular FormulaC22H24F3N7O
Molecular Weight459.48 g/mol
Exact Mass459.20
IUPAC NameN-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide
SMILESCn1cc(-c2cnc3cnc(NC(=O)C4CCN(CC5(C(F)(F)F)CC5)CC4)cc3c2)nn1
InChIInChI=1S/C22H24F3N7O/c1-31-12-18(29-30-31)16-8-15-9-19(27-11-17(15)26-10-16)28-20(33)14-2-6-32(7-3-14)13-21(4-5-21)22(23,24)25/h8-12,14H,2-7,13H2,1H3,(H,27,28,33)
InChIKeyAWIBTYVWNGYQCI-UHFFFAOYSA-N
XLogP3.42
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide (CID 138589464) is N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide is Cn1cc(-c2cnc3cnc(NC(=O)C4CCN(CC5(C(F)(F)F)CC5)CC4)cc3c2)nn1.
What is the InChIKey of N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide?
The InChIKey is AWIBTYVWNGYQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O/c1-31-12-18(29-30-31)16-8-15-9-19(27-11-17(15)26-10-16)28-20(33)14-2-6-32(7-3-14)13-21(4-5-21)22(23,24)25/h8-12,14H,2-7,13H2,1H3,(H,27,28,33).
What are the key properties of N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide?
N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide has a molecular weight of 459.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 138589464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).