N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide

C16H17N3O — CID 56750676

IUPACN-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide
SMILESC=CCN(Cc1ccccn1)C(=O)Cc1cccnc1
InChIInChI=1S/C16H17N3O/c1-2-10-19(13-15-7-3-4-9-18-15)16(20)11-14-6-5-8-17-12-14/h2-9,12H,1,10-11,13H2
InChIKeyBQOAAFOMCZOQLD-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.23
Rot. Bonds6

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

N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 56750676) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID56750676
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide
SMILESC=CCN(Cc1ccccn1)C(=O)Cc1cccnc1
InChIInChI=1S/C16H17N3O/c1-2-10-19(13-15-7-3-4-9-18-15)16(20)11-14-6-5-8-17-12-14/h2-9,12H,1,10-11,13H2
InChIKeyBQOAAFOMCZOQLD-UHFFFAOYSA-N
XLogP2.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-N-prop-2-enyl-2-pyridin-2-ylacetamide
CID 50956097
N-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 102199988
(E)-4-oxo-4-[prop-2-enyl(pyridin-2-ylmethyl)amino]but-2-enoic acid
CID 39349109
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181
1-pyridin-3-yl-N,N-bis(pyridin-2-ylmethyl)ethenamine
CID 118234431
1-benzyl-1-prop-2-enyl-3-(2-pyridin-3-ylethyl)urea
CID 87003527
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-(2-propan-2-ylphenyl)-N'-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 46995679
N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyridin-2-ylpropanamide
CID 113340650
(3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95220390
3-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 17370577
N-ethyl-N-iodo-2-pyridin-3-ylacetamide
CID 143532975

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide (CID 56750676) is N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide is C=CCN(Cc1ccccn1)C(=O)Cc1cccnc1.
What is the InChIKey of N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is BQOAAFOMCZOQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-10-19(13-15-7-3-4-9-18-15)16(20)11-14-6-5-8-17-12-14/h2-9,12H,1,10-11,13H2.
What are the key properties of N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide?
N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 56750676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).