N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide

C28H40N2O4 — CID 10027642

IUPACN-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide
SMILESCCCCCCCCCCCCCCOc1ccc(C(=O)NC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C28H40N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-34-25-16-15-24(22-26(25)33-2)28(32)30-27(31)23-17-19-29-20-18-23/h15-20,22H,3-14,21H2,1-2H3,(H,30,31,32)
InChIKeyQPYCJPUWUCCRID-UHFFFAOYSA-N
MW468.64 g/mol
LogP6.74
Rot. Bonds17

About N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide

N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide (PubChem CID 10027642) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide
PubChem CID10027642
Molecular FormulaC28H40N2O4
Molecular Weight468.64 g/mol
Exact Mass468.30
IUPAC NameN-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide
SMILESCCCCCCCCCCCCCCOc1ccc(C(=O)NC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C28H40N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-34-25-16-15-24(22-26(25)33-2)28(32)30-27(31)23-17-19-29-20-18-23/h15-20,22H,3-14,21H2,1-2H3,(H,30,31,32)
InChIKeyQPYCJPUWUCCRID-UHFFFAOYSA-N
XLogP6.74
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
N-(3-methoxy-4-tetradecoxybenzoyl)-1-propylpyridin-1-ium-3-carboxamide
CID 10032051
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
CID 54538637
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
6-methoxyhexyl 3-methoxy-4-pentoxybenzoate
CID 90138665
6-methoxyhexyl 4-hexoxy-3-methoxybenzoate
CID 121336036
N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-hexadecoxy-3-methoxybenzamide
CID 19015126
4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide
CID 55334786
4-hexoxy-3-methoxy-N-phenylmethoxybenzamide
CID 55338649
3-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]-4-tetradecoxybenzamide
CID 19015376
1-(3,4-diheptoxyphenyl)ethanone
CID 23127596
1-[3,4-di(nonoxy)phenyl]ethanone
CID 23127426

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide (CID 10027642) is N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide is CCCCCCCCCCCCCCOc1ccc(C(=O)NC(=O)c2ccncc2)cc1OC.
What is the InChIKey of N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide?
The InChIKey is QPYCJPUWUCCRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-34-25-16-15-24(22-26(25)33-2)28(32)30-27(31)23-17-19-29-20-18-23/h15-20,22H,3-14,21H2,1-2H3,(H,30,31,32).
What are the key properties of N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide?
N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide has a molecular weight of 468.64 g/mol, XLogP of 6.74, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide is sourced from PubChem (CID 10027642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).