3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide

C20H17FN6O — CID 138525731

IUPAC3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide
SMILESCC(C)n1nnnc1-c1cccc(NC(=O)c2cc3ccccc3cc2F)n1
InChIInChI=1S/C20H17FN6O/c1-12(2)27-19(24-25-26-27)17-8-5-9-18(22-17)23-20(28)15-10-13-6-3-4-7-14(13)11-16(15)21/h3-12H,1-2H3,(H,22,23,28)
InChIKeyIFFPGPFFVMTMIU-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.86
Rot. Bonds4

About 3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide

3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide (PubChem CID 138525731) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide
PubChem CID138525731
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide
SMILESCC(C)n1nnnc1-c1cccc(NC(=O)c2cc3ccccc3cc2F)n1
InChIInChI=1S/C20H17FN6O/c1-12(2)27-19(24-25-26-27)17-8-5-9-18(22-17)23-20(28)15-10-13-6-3-4-7-14(13)11-16(15)21/h3-12H,1-2H3,(H,22,23,28)
InChIKeyIFFPGPFFVMTMIU-UHFFFAOYSA-N
XLogP3.86
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The IUPAC name of 3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide (CID 138525731) is 3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide is CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3ccccc3cc2F)n1.
What is the InChIKey of 3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The InChIKey is IFFPGPFFVMTMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-12(2)27-19(24-25-26-27)17-8-5-9-18(22-17)23-20(28)15-10-13-6-3-4-7-14(13)11-16(15)21/h3-12H,1-2H3,(H,22,23,28).
What are the key properties of 3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide?
3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]naphthalene-2-carboxamide is sourced from PubChem (CID 138525731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).