3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

C23H23N3O3 — CID 11603482

IUPAC3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)c1ncccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C23H23N3O3/c27-22(19-8-3-6-17-5-1-2-7-18(17)19)26-20-9-4-12-24-21(20)23(28)25-15-16-10-13-29-14-11-16/h1-9,12,16H,10-11,13-15H2,(H,25,28)(H,26,27)
InChIKeyKQLKVUTUWJRUOQ-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.64
Rot. Bonds5

About 3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 11603482) has the molecular formula C23H23N3O3 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
PubChem CID11603482
Molecular FormulaC23H23N3O3
Molecular Weight389.45 g/mol
Exact Mass389.17
IUPAC Name3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCOCC1)c1ncccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C23H23N3O3/c27-22(19-8-3-6-17-5-1-2-7-18(17)19)26-20-9-4-12-24-21(20)23(28)25-15-16-10-13-29-14-11-16/h1-9,12,16H,10-11,13-15H2,(H,25,28)(H,26,27)
InChIKeyKQLKVUTUWJRUOQ-UHFFFAOYSA-N
XLogP3.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (CID 11603482) is 3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of 3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is KQLKVUTUWJRUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(19-8-3-6-17-5-1-2-7-18(17)19)26-20-9-4-12-24-21(20)23(28)25-15-16-10-13-29-14-11-16/h1-9,12,16H,10-11,13-15H2,(H,25,28)(H,26,27).
What are the key properties of 3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalene-1-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 11603482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).