N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide

C14H21N3O — CID 79278864

IUPACN-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
SMILESC=CCNCC(=O)N(Cc1cccnc1)C(C)C
InChIInChI=1S/C14H21N3O/c1-4-7-15-10-14(18)17(12(2)3)11-13-6-5-8-16-9-13/h4-6,8-9,12,15H,1,7,10-11H2,2-3H3
InChIKeyFUODXNSIHGTXBS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.59
Rot. Bonds7

About N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide

N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 79278864) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID79278864
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
SMILESC=CCNCC(=O)N(Cc1cccnc1)C(C)C
InChIInChI=1S/C14H21N3O/c1-4-7-15-10-14(18)17(12(2)3)11-13-6-5-8-16-9-13/h4-6,8-9,12,15H,1,7,10-11H2,2-3H3
InChIKeyFUODXNSIHGTXBS-UHFFFAOYSA-N
XLogP1.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 79285110
3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 62964403
2-(methylamino)-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62636984
(E)-4-oxo-4-[propan-2-yl(pyridin-3-ylmethyl)amino]but-2-enoic acid
CID 39350700
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 81087098
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 4717881
3-[[methyl(pyridin-3-ylmethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61203602
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79278889
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide (CID 79278864) is N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide is C=CCNCC(=O)N(Cc1cccnc1)C(C)C.
What is the InChIKey of N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is FUODXNSIHGTXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-7-15-10-14(18)17(12(2)3)11-13-6-5-8-16-9-13/h4-6,8-9,12,15H,1,7,10-11H2,2-3H3.
What are the key properties of N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide?
N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 79278864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).