N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide

C18H20N4O2 — CID 87010679

IUPACN-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C18H20N4O2/c1-2-10-20-17(23)15-5-7-16(8-6-15)22-18(24)21-12-9-14-4-3-11-19-13-14/h2-8,11,13H,1,9-10,12H2,(H,20,23)(H2,21,22,24)
InChIKeyAZJZUOKKRJMJLR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.36
Rot. Bonds7

About N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide

N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide (PubChem CID 87010679) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide
PubChem CID87010679
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C18H20N4O2/c1-2-10-20-17(23)15-5-7-16(8-6-15)22-18(24)21-12-9-14-4-3-11-19-13-14/h2-8,11,13H,1,9-10,12H2,(H,20,23)(H2,21,22,24)
InChIKeyAZJZUOKKRJMJLR-UHFFFAOYSA-N
XLogP2.36
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-pyridin-3-ylethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86988232
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
N-prop-2-enyl-3-pyridin-3-ylpropanamide
CID 60667734
4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide
CID 52667442
3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101755
N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231352
N-(4-chlorophenyl)-2-(2-pyridin-3-ylethylcarbamoylamino)acetamide
CID 51091959
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 86987634
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 3818400
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide?
The IUPAC name of N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide (CID 87010679) is N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide.
What is the SMILES notation for N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide?
The canonical SMILES for N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide is C=CCNC(=O)c1ccc(NC(=O)NCCc2cccnc2)cc1.
What is the InChIKey of N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide?
The InChIKey is AZJZUOKKRJMJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-10-20-17(23)15-5-7-16(8-6-15)22-18(24)21-12-9-14-4-3-11-19-13-14/h2-8,11,13H,1,9-10,12H2,(H,20,23)(H2,21,22,24).
What are the key properties of N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide?
N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide has a molecular weight of 324.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide is sourced from PubChem (CID 87010679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).