4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide

C17H20N4O3 — CID 60543450

IUPAC4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1cccnc1
InChIInChI=1S/C17H20N4O3/c1-21(2)16(22)13-6-7-15(24-3)14(9-13)20-17(23)19-11-12-5-4-8-18-10-12/h4-10H,11H2,1-3H3,(H2,19,20,23)
InChIKeyZXJOYXVVWBFFQX-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.11
Rot. Bonds5

About 4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide

4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide (PubChem CID 60543450) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
PubChem CID60543450
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1cccnc1
InChIInChI=1S/C17H20N4O3/c1-21(2)16(22)13-6-7-15(24-3)14(9-13)20-17(23)19-11-12-5-4-8-18-10-12/h4-10H,11H2,1-3H3,(H2,19,20,23)
InChIKeyZXJOYXVVWBFFQX-UHFFFAOYSA-N
XLogP2.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 47326377
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 48796735
3-N-(5-chloro-2-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055121
1-N'-(2-methoxy-5-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976865
4-bromo-3-(pyridin-3-ylmethylcarbamoylamino)benzoic acid
CID 107813940
1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 60569732
6-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157978
2-methoxy-5-(pyridin-3-ylmethylcarbamoyl)benzoyl chloride
CID 71429785
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide?
The IUPAC name of 4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide (CID 60543450) is 4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide?
The canonical SMILES for 4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide is COc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1cccnc1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide?
The InChIKey is ZXJOYXVVWBFFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-21(2)16(22)13-6-7-15(24-3)14(9-13)20-17(23)19-11-12-5-4-8-18-10-12/h4-10H,11H2,1-3H3,(H2,19,20,23).
What are the key properties of 4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide?
4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide has a molecular weight of 328.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 60543450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).