2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide

C18H20N4O2 — CID 87039150

IUPAC2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)Cc2ccc(C)nc2)cc1
InChIInChI=1S/C18H20N4O2/c1-3-10-19-18(24)22-16-8-6-15(7-9-16)21-17(23)11-14-5-4-13(2)20-12-14/h3-9,12H,1,10-11H2,2H3,(H,21,23)(H2,19,22,24)
InChIKeyYGALMDCQVAPGQG-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.88
Rot. Bonds6

About 2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide

2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide (PubChem CID 87039150) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
PubChem CID87039150
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)Cc2ccc(C)nc2)cc1
InChIInChI=1S/C18H20N4O2/c1-3-10-19-18(24)22-16-8-6-15(7-9-16)21-17(23)11-14-5-4-13(2)20-12-14/h3-9,12H,1,10-11H2,2H3,(H,21,23)(H2,19,22,24)
InChIKeyYGALMDCQVAPGQG-UHFFFAOYSA-N
XLogP2.88
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.88
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

N-(4-ethylphenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 47259711
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
CID 46545817
(2R)-2-methyl-3-[4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]phenyl]propanoic acid
CID 129401449
N-(3,4-difluorophenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 71940458
N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 39193239
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide
CID 38019423
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 119278038
N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide
CID 112532425
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
CID 119278037

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide (CID 87039150) is 2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide is C=CCNC(=O)Nc1ccc(NC(=O)Cc2ccc(C)nc2)cc1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide?
The InChIKey is YGALMDCQVAPGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-10-19-18(24)22-16-8-6-15(7-9-16)21-17(23)11-14-5-4-13(2)20-12-14/h3-9,12H,1,10-11H2,2H3,(H,21,23)(H2,19,22,24).
What are the key properties of 2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide?
2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 87039150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).