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

C20H22F3N7O — CID 138588436

IUPACN-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCn1nncc1-c1cnc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1
InChIInChI=1S/C20H22F3N7O/c1-29-17(12-26-28-29)15-8-14-9-18(25-11-16(14)24-10-15)27-19(31)13-2-5-30(6-3-13)7-4-20(21,22)23/h8-13H,2-7H2,1H3,(H,25,27,31)
InChIKeyJJKUSTVNQUMEAT-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.03
Rot. Bonds5

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

N-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (PubChem CID 138588436) has the molecular formula C20H22F3N7O and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
PubChem CID138588436
Molecular FormulaC20H22F3N7O
Molecular Weight433.44 g/mol
Exact Mass433.18
IUPAC NameN-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCn1nncc1-c1cnc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1
InChIInChI=1S/C20H22F3N7O/c1-29-17(12-26-28-29)15-8-14-9-18(25-11-16(14)24-10-15)27-19(31)13-2-5-30(6-3-13)7-4-20(21,22)23/h8-13H,2-7H2,1H3,(H,25,27,31)
InChIKeyJJKUSTVNQUMEAT-UHFFFAOYSA-N
XLogP3.03
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (CID 138588436) is N-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is Cn1nncc1-c1cnc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1.
What is the InChIKey of N-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The InChIKey is JJKUSTVNQUMEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7O/c1-29-17(12-26-28-29)15-8-14-9-18(25-11-16(14)24-10-15)27-19(31)13-2-5-30(6-3-13)7-4-20(21,22)23/h8-13H,2-7H2,1H3,(H,25,27,31).
What are the key properties of N-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
N-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 138588436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).