2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide

C23H26F3N9O2 — CID 146199702

IUPAC2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
SMILESCC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N(C)CCC(F)(F)F)C3)n1
InChIInChI=1S/C23H26F3N9O2/c1-14(2)35-20(30-31-32-35)17-5-4-6-19(28-17)29-21(36)18-11-16-13-34(9-7-15(16)12-27-18)22(37)33(3)10-8-23(24,25)26/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,28,29,36)
InChIKeyBFCJGKUDHVHULY-UHFFFAOYSA-N
MW517.52 g/mol
LogP3.33
Rot. Bonds6

About 2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide

2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide (PubChem CID 146199702) has the molecular formula C23H26F3N9O2 and a molecular weight of 517.52 g/mol. Its IUPAC name is 2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
PubChem CID146199702
Molecular FormulaC23H26F3N9O2
Molecular Weight517.52 g/mol
Exact Mass517.22
IUPAC Name2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
SMILESCC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N(C)CCC(F)(F)F)C3)n1
InChIInChI=1S/C23H26F3N9O2/c1-14(2)35-20(30-31-32-35)17-5-4-6-19(28-17)29-21(36)18-11-16-13-34(9-7-15(16)12-27-18)22(37)33(3)10-8-23(24,25)26/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,28,29,36)
InChIKeyBFCJGKUDHVHULY-UHFFFAOYSA-N
XLogP3.33
TPSA122.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide?
The IUPAC name of 2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide (CID 146199702) is 2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide.
What is the SMILES notation for 2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide?
The canonical SMILES for 2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide is CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N(C)CCC(F)(F)F)C3)n1.
What is the InChIKey of 2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide?
The InChIKey is BFCJGKUDHVHULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N9O2/c1-14(2)35-20(30-31-32-35)17-5-4-6-19(28-17)29-21(36)18-11-16-13-34(9-7-15(16)12-27-18)22(37)33(3)10-8-23(24,25)26/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,28,29,36).
What are the key properties of 2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide?
2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide has a molecular weight of 517.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-7-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide is sourced from PubChem (CID 146199702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).