N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide

C19H24N4O2 — CID 71870372

IUPACN-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide
SMILESCCNC(=O)c1ccc(NC(=O)NC(CC)c2ccncc2)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-4-16(14-8-10-20-11-9-14)22-19(25)23-17-7-6-15(12-13(17)3)18(24)21-5-2/h6-12,16H,4-5H2,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyANZMZIKBGFNIRS-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.41
Rot. Bonds6

About N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide

N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide (PubChem CID 71870372) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide
PubChem CID71870372
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide
SMILESCCNC(=O)c1ccc(NC(=O)NC(CC)c2ccncc2)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-4-16(14-8-10-20-11-9-14)22-19(25)23-17-7-6-15(12-13(17)3)18(24)21-5-2/h6-12,16H,4-5H2,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyANZMZIKBGFNIRS-UHFFFAOYSA-N
XLogP3.41
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide
CID 125177536
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
methyl 3-methyl-4-[[(1R)-1-pyridin-4-ylbut-3-enyl]carbamoylamino]benzoate
CID 95628789
1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 40629630
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-ethyl-3-methylbenzamide
CID 61179048
1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea
CID 17181991
4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide
CID 65229718
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
N-ethyl-3-methyl-4-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119714183
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267
1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 40637085
N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 94166195

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide?
The IUPAC name of N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide (CID 71870372) is N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide.
What is the SMILES notation for N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide?
The canonical SMILES for N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide is CCNC(=O)c1ccc(NC(=O)NC(CC)c2ccncc2)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide?
The InChIKey is ANZMZIKBGFNIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-16(14-8-10-20-11-9-14)22-19(25)23-17-7-6-15(12-13(17)3)18(24)21-5-2/h6-12,16H,4-5H2,1-3H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide?
N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide has a molecular weight of 340.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide is sourced from PubChem (CID 71870372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).