N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide

C22H23F3N8O3 — CID 146199688

IUPACN-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
SMILESC[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)CCC(F)(F)F)C3)n1
InChIInChI=1S/C22H23F3N8O3/c1-13(12-34)33-20(29-30-31-33)16-3-2-4-18(27-16)28-21(36)17-9-15-11-32(8-6-14(15)10-26-17)19(35)5-7-22(23,24)25/h2-4,9-10,13,34H,5-8,11-12H2,1H3,(H,27,28,36)/t13-/m1/s1
InChIKeyABRZGTHJOZUHID-CYBMUJFWSA-N
MW504.47 g/mol
LogP2.16
Rot. Bonds7

About N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide

N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide (PubChem CID 146199688) has the molecular formula C22H23F3N8O3 and a molecular weight of 504.47 g/mol. Its IUPAC name is N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
PubChem CID146199688
Molecular FormulaC22H23F3N8O3
Molecular Weight504.47 g/mol
Exact Mass504.18
IUPAC NameN-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
SMILESC[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)CCC(F)(F)F)C3)n1
InChIInChI=1S/C22H23F3N8O3/c1-13(12-34)33-20(29-30-31-33)16-3-2-4-18(27-16)28-21(36)17-9-15-11-32(8-6-14(15)10-26-17)19(35)5-7-22(23,24)25/h2-4,9-10,13,34H,5-8,11-12H2,1H3,(H,27,28,36)/t13-/m1/s1
InChIKeyABRZGTHJOZUHID-CYBMUJFWSA-N
XLogP2.16
TPSA139.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The IUPAC name of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide (CID 146199688) is N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide is C[C@H](CO)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)CCC(F)(F)F)C3)n1.
What is the InChIKey of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The InChIKey is ABRZGTHJOZUHID-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23F3N8O3/c1-13(12-34)33-20(29-30-31-33)16-3-2-4-18(27-16)28-21(36)17-9-15-11-32(8-6-14(15)10-26-17)19(35)5-7-22(23,24)25/h2-4,9-10,13,34H,5-8,11-12H2,1H3,(H,27,28,36)/t13-/m1/s1.
What are the key properties of N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide has a molecular weight of 504.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(4,4,4-trifluorobutanoyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 146199688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).