4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid

C24H23N3O5 — CID 58973328

IUPAC4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
SMILESO=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(C(=O)O)c2ccccc12
InChIInChI=1S/C24H23N3O5/c28-22(18-7-8-19(24(30)31)17-5-2-1-4-16(17)18)27-20-6-3-11-25-21(20)23(29)26-14-15-9-12-32-13-10-15/h1-8,11,15H,9-10,12-14H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyBIICSDGTLAHWES-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.34
Rot. Bonds6

About 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid

4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid (PubChem CID 58973328) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
PubChem CID58973328
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
SMILESO=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(C(=O)O)c2ccccc12
InChIInChI=1S/C24H23N3O5/c28-22(18-7-8-19(24(30)31)17-5-2-1-4-16(17)18)27-20-6-3-11-25-21(20)23(29)26-14-15-9-12-32-13-10-15/h1-8,11,15H,9-10,12-14H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyBIICSDGTLAHWES-UHFFFAOYSA-N
XLogP3.34
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-Oxo-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid
CID 11540282
3-[2-[1-[[4-(Aminomethyl)cyclohexanecarbonyl]amino]-2-phenylethyl]-4-pyridinyl]benzoic acid
CID 11576157
3-[(1-Naphthalenylcarbonyl)amino]-N-[(tetrahydro-2H-pyran-4-yl)methyl]-2-pyridinecarboxamide
CID 11603482
2-Amino-5-[2-[1-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-phenylethyl]-4-pyridinyl]benzoic acid
CID 11619799
N-(Cyclohexylmethyl)-3-[(1-naphthalenylcarbonyl)amino]-2-pyridinecarboxamide
CID 11653936
4-[[6-(Benzylcarbamoyl)-4-oxopyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid
CID 11668791
N-(cyclobutylmethyl)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973398
N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973420
3-[2-(Aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoic acid
CID 67411145
3-[[4-(methylsulfinylmethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 71544707
3-[[4-[[(R)-methylsulfinyl]methyl]naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 71544708
3-[[4-[[(S)-methylsulfinyl]methyl]naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 71544873

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid?
The IUPAC name of 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid (CID 58973328) is 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid is O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(C(=O)O)c2ccccc12.
What is the InChIKey of 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid?
The InChIKey is BIICSDGTLAHWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c28-22(18-7-8-19(24(30)31)17-5-2-1-4-16(17)18)27-20-6-3-11-25-21(20)23(29)26-14-15-9-12-32-13-10-15/h1-8,11,15H,9-10,12-14H2,(H,26,29)(H,27,28)(H,30,31).
What are the key properties of 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid?
4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid has a molecular weight of 433.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 58973328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).