[4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid

C24H24N4O5 — CID 69366219

IUPAC[4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid
SMILESO=C(O)Nc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
InChIInChI=1S/C24H24N4O5/c29-22(18-7-8-19(28-24(31)32)17-5-2-1-4-16(17)18)27-20-6-3-11-25-21(20)23(30)26-14-15-9-12-33-13-10-15/h1-8,11,15,28H,9-10,12-14H2,(H,26,30)(H,27,29)(H,31,32)
InChIKeyFBLUGHMCGMGPPU-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.73
Rot. Bonds6

About [4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid

[4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid (PubChem CID 69366219) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is [4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid.

Molecular Properties

Compound Name[4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid
PubChem CID69366219
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name[4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid
SMILESO=C(O)Nc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
InChIInChI=1S/C24H24N4O5/c29-22(18-7-8-19(28-24(31)32)17-5-2-1-4-16(17)18)27-20-6-3-11-25-21(20)23(30)26-14-15-9-12-33-13-10-15/h1-8,11,15,28H,9-10,12-14H2,(H,26,30)(H,27,29)(H,31,32)
InChIKeyFBLUGHMCGMGPPU-UHFFFAOYSA-N
XLogP3.73
TPSA129.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
CID 162066010
2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
CID 159936141
N-[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]-1H-indole-3-carboxamide
CID 16735447
N-(oxan-4-ylmethyl)-3-[[4-(tetrazol-2-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973457
N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973420
3-[[4-(bromomethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(pyrazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 158282571
6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 16736339
3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfinyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-6-methylsulfonyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 161306427
3-[[4-(bromomethyl)naphthalene-1-carbonyl]amino]-6-methoxy-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;6-methoxy-3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 158402465
[4-[[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]methyl methanesulfonate;N-(cyclobutylmethyl)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 159665617
3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide
CID 143144363
3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743585

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid?
The IUPAC name of [4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid (CID 69366219) is [4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid.
What is the SMILES notation for [4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid?
The canonical SMILES for [4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid is O=C(O)Nc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12.
What is the InChIKey of [4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid?
The InChIKey is FBLUGHMCGMGPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c29-22(18-7-8-19(28-24(31)32)17-5-2-1-4-16(17)18)27-20-6-3-11-25-21(20)23(30)26-14-15-9-12-33-13-10-15/h1-8,11,15,28H,9-10,12-14H2,(H,26,30)(H,27,29)(H,31,32).
What are the key properties of [4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid?
[4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid has a molecular weight of 448.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 4 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]naphthalen-1-yl]carbamic acid is sourced from PubChem (CID 69366219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).