4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide

C17H20N4O3 — CID 78892807

IUPAC4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)NCc2cccc(C)n2)c1
InChIInChI=1S/C17H20N4O3/c1-11-5-4-6-13(20-11)10-19-17(23)21-14-9-12(16(22)18-2)7-8-15(14)24-3/h4-9H,10H2,1-3H3,(H,18,22)(H2,19,21,23)
InChIKeyGWDMULOPIMHDJM-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.08
Rot. Bonds5

About 4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide

4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide (PubChem CID 78892807) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide
PubChem CID78892807
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)NCc2cccc(C)n2)c1
InChIInChI=1S/C17H20N4O3/c1-11-5-4-6-13(20-11)10-19-17(23)21-14-9-12(16(22)18-2)7-8-15(14)24-3/h4-9H,10H2,1-3H3,(H,18,22)(H2,19,21,23)
InChIKeyGWDMULOPIMHDJM-UHFFFAOYSA-N
XLogP2.08
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide
CID 74233553
N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide
CID 87009765
N-cyclopropyl-4-methoxy-3-[1-(6-methyl-2-pyridinyl)propan-2-ylcarbamoylamino]benzamide
CID 118786934
N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide
CID 125175368
1-(2-methoxy-3-pyridinyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47260319
1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258131
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea
CID 72889978
1-(2,3-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47456806
ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87044649
3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide
CID 87009612

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide?
The IUPAC name of 4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide (CID 78892807) is 4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide?
The canonical SMILES for 4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide is CNC(=O)c1ccc(OC)c(NC(=O)NCc2cccc(C)n2)c1.
What is the InChIKey of 4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide?
The InChIKey is GWDMULOPIMHDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-5-4-6-13(20-11)10-19-17(23)21-14-9-12(16(22)18-2)7-8-15(14)24-3/h4-9H,10H2,1-3H3,(H,18,22)(H2,19,21,23).
What are the key properties of 4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide?
4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide has a molecular weight of 328.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide is sourced from PubChem (CID 78892807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).