4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide

C25H28N4O3 — CID 50773287

IUPAC4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
SMILESCCCCOc1ccc(C(=O)N/C(=N\Cc2ccncc2)Nc2ccccc2OC)cc1
InChIInChI=1S/C25H28N4O3/c1-3-4-17-32-21-11-9-20(10-12-21)24(30)29-25(27-18-19-13-15-26-16-14-19)28-22-7-5-6-8-23(22)31-2/h5-16H,3-4,17-18H2,1-2H3,(H2,27,28,29,30)
InChIKeyHRLXBNFMOXABPV-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.67
Rot. Bonds9

About 4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide

4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide (PubChem CID 50773287) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
PubChem CID50773287
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
SMILESCCCCOc1ccc(C(=O)N/C(=N\Cc2ccncc2)Nc2ccccc2OC)cc1
InChIInChI=1S/C25H28N4O3/c1-3-4-17-32-21-11-9-20(10-12-21)24(30)29-25(27-18-19-13-15-26-16-14-19)28-22-7-5-6-8-23(22)31-2/h5-16H,3-4,17-18H2,1-2H3,(H2,27,28,29,30)
InChIKeyHRLXBNFMOXABPV-UHFFFAOYSA-N
XLogP4.67
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-3,4-dimethylbenzamide
CID 50771276
N-[N-(3-bromophenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-4-butoxybenzamide
CID 46297974
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
N-[N-(4-ethylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-4-methoxybenzamide
CID 50773171
4-ethoxy-N-[N-(4-ethylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50773412
N-[(2-methoxyphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953061
N-[N-(3,5-dimethoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-3,5-dimethoxybenzamide
CID 46297972
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
4-ethoxy-N-[N-(3-methoxyphenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50818192
4-hexoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131060
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
3,4-dimethoxy-N-[N-(2-methylphenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50818585

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide?
The IUPAC name of 4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide (CID 50773287) is 4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide?
The canonical SMILES for 4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide is CCCCOc1ccc(C(=O)N/C(=N\Cc2ccncc2)Nc2ccccc2OC)cc1.
What is the InChIKey of 4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide?
The InChIKey is HRLXBNFMOXABPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-4-17-32-21-11-9-20(10-12-21)24(30)29-25(27-18-19-13-15-26-16-14-19)28-22-7-5-6-8-23(22)31-2/h5-16H,3-4,17-18H2,1-2H3,(H2,27,28,29,30).
What are the key properties of 4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide?
4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[N-(2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide is sourced from PubChem (CID 50773287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).