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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Related Compounds

4-(Isoquinolin-1-Yl)-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 57383478
N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3205996
[(1R)-3-methyl-1-[[(2S)-3-naphthalen-1-yl-2-(quinoxaline-2-carbonylamino)propanoyl]amino]butyl]boronic acid
CID 44583214
Pyridine-2-carboxylic Acid(4,4-Diphenyl-propyl)-amide
CID 9166073
2''-[(3-Phenyl-butyrylamino)-methyl]-biphenyl-2-carboxylic acid (2-pyridin-2-yl-ethyl)-amide
CID 11059860
n-(Cyclobutylmethyl)-3-[(1-naphthalenylcarbonyl)amino]-2-pyridinecarboxamide
CID 11494221
N-(cyclobutylmethyl)-3-[[4-(pyrazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 11495877
N-(cyclobutylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 11532254
N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide
CID 11610189
N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide
CID 11617449
N-(Cyclohexylmethyl)-3-[(1-naphthalenylcarbonyl)amino]-2-pyridinecarboxamide
CID 11653936
N-(cyclobutylmethyl)-3-[[4-(pyrrol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 11655065

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).