N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide

C23H24N3O3+ — CID 143144244

IUPACN-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc[n+](O)c2C(=O)NCC2CCC2)c2ccccc12
InChIInChI=1S/C23H23N3O3/c1-15-11-12-19(18-9-3-2-8-17(15)18)22(27)25-20-10-5-13-26(29)21(20)23(28)24-14-16-6-4-7-16/h2-3,5,8-13,16H,4,6-7,14H2,1H3,(H2-,24,25,27,28,29)/p+1
InChIKeyOXBNHCXGWRUVOJ-UHFFFAOYSA-O
MW390.46 g/mol
LogP3.46
Rot. Bonds5

About N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide

N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide (PubChem CID 143144244) has the molecular formula C23H24N3O3+ and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide
PubChem CID143144244
Molecular FormulaC23H24N3O3+
Molecular Weight390.46 g/mol
Exact Mass390.18
IUPAC NameN-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc[n+](O)c2C(=O)NCC2CCC2)c2ccccc12
InChIInChI=1S/C23H23N3O3/c1-15-11-12-19(18-9-3-2-8-17(15)18)22(27)25-20-10-5-13-26(29)21(20)23(28)24-14-16-6-4-7-16/h2-3,5,8-13,16H,4,6-7,14H2,1H3,(H2-,24,25,27,28,29)/p+1
InChIKeyOXBNHCXGWRUVOJ-UHFFFAOYSA-O
XLogP3.46
TPSA82.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide (CID 143144244) is N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide is Cc1ccc(C(=O)Nc2ccc[n+](O)c2C(=O)NCC2CCC2)c2ccccc12.
What is the InChIKey of N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide?
The InChIKey is OXBNHCXGWRUVOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H23N3O3/c1-15-11-12-19(18-9-3-2-8-17(15)18)22(27)25-20-10-5-13-26(29)21(20)23(28)24-14-16-6-4-7-16/h2-3,5,8-13,16H,4,6-7,14H2,1H3,(H2-,24,25,27,28,29)/p+1.
What are the key properties of N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide?
N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide is sourced from PubChem (CID 143144244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).