N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide

C14H19N3O — CID 79285110

IUPACN-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
SMILESC=CCNCC(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C14H19N3O/c1-2-7-15-10-14(18)17(13-5-6-13)11-12-4-3-8-16-9-12/h2-4,8-9,13,15H,1,5-7,10-11H2
InChIKeyIKEFGISPRXMULE-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.35
Rot. Bonds7

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

N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 79285110) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID79285110
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
SMILESC=CCNCC(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C14H19N3O/c1-2-7-15-10-14(18)17(13-5-6-13)11-12-4-3-8-16-9-12/h2-4,8-9,13,15H,1,5-7,10-11H2
InChIKeyIKEFGISPRXMULE-UHFFFAOYSA-N
XLogP1.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.35
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-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 79278864
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285198
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
N-[2-[cyclopropyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 71995258
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79286156
N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 4717881
2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 119958237
N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide
CID 75493389
N-cyclopropyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 51207321

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide (CID 79285110) is N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide is C=CCNCC(=O)N(Cc1cccnc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is IKEFGISPRXMULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-7-15-10-14(18)17(13-5-6-13)11-12-4-3-8-16-9-12/h2-4,8-9,13,15H,1,5-7,10-11H2.
What are the key properties of N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide?
N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 245.33 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 79285110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).