N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide

C12H14N2O2 — CID 146095271

IUPACN-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide
SMILESC=CC(=O)NC1(c2ccnc(OC)c2)CC1
InChIInChI=1S/C12H14N2O2/c1-3-10(15)14-12(5-6-12)9-4-7-13-11(8-9)16-2/h3-4,7-8H,1,5-6H2,2H3,(H,14,15)
InChIKeyOSGQELVUVNEPDC-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.38
Rot. Bonds4

About N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide

N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide (PubChem CID 146095271) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide
PubChem CID146095271
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide
SMILESC=CC(=O)NC1(c2ccnc(OC)c2)CC1
InChIInChI=1S/C12H14N2O2/c1-3-10(15)14-12(5-6-12)9-4-7-13-11(8-9)16-2/h3-4,7-8H,1,5-6H2,2H3,(H,14,15)
InChIKeyOSGQELVUVNEPDC-UHFFFAOYSA-N
XLogP1.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ro 24-0238
CID 6439060
N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 2303641
(2-Methoxypyridin-4-yl)methanamine
CID 16227983
N-(6-methoxypyridin-3-yl)acetamide
CID 2755701
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-3-pyridinyl)methyl)amino)-6-methyl-
CID 454346
3-(2-methoxyphenyl)-N-3-pyridinylacrylamide
CID 895797
(E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 6215469
(E)-5,5-bis(4-methoxyphenyl)-N-[1,1-dimethyl-4-(3-pyridinyl)butyl]-2,4-pentadienamide
CID 14347338
5-(4-Methoxy-phenyl)-deca-2,4-dienoic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14347399
(2E,4Z)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]deca-2,4-dienamide
CID 14347400
5-(4-Methoxy-phenyl)-penta-2,4-dienoic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14347403
5-(4-Methoxy-phenyl)-hexa-2,4-dienoic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14347405

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide?
The IUPAC name of N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide (CID 146095271) is N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide.
What is the SMILES notation for N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide?
The canonical SMILES for N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide is C=CC(=O)NC1(c2ccnc(OC)c2)CC1.
What is the InChIKey of N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide?
The InChIKey is OSGQELVUVNEPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-10(15)14-12(5-6-12)9-4-7-13-11(8-9)16-2/h3-4,7-8H,1,5-6H2,2H3,(H,14,15).
What are the key properties of N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide?
N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide has a molecular weight of 218.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-4-pyridinyl)cyclopropyl]prop-2-enamide is sourced from PubChem (CID 146095271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).