(Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide

C18H18N2O — CID 98448468

IUPAC(Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C\c1ccccn1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C18H18N2O/c21-17(10-9-16-8-4-5-13-19-16)20-14-18(11-12-18)15-6-2-1-3-7-15/h1-10,13H,11-12,14H2,(H,20,21)/b10-9-
InChIKeyACZGUZPWYJAGEK-KTKRTIGZSA-N
MW278.36 g/mol
LogP2.94
Rot. Bonds5

About (Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide

(Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide (PubChem CID 98448468) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide
PubChem CID98448468
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C\c1ccccn1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C18H18N2O/c21-17(10-9-16-8-4-5-13-19-16)20-14-18(11-12-18)15-6-2-1-3-7-15/h1-10,13H,11-12,14H2,(H,20,21)/b10-9-
InChIKeyACZGUZPWYJAGEK-KTKRTIGZSA-N
XLogP2.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
CID 110477964
1-[(1-phenylcyclopropyl)methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 56814220
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30664702
(E)-3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30308521
(E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 24614536
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
3-phenyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]prop-2-enamide
CID 71961166
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 113213858
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1308572
N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide
CID 110467968

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide (CID 98448468) is (Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide is O=C(/C=C\c1ccccn1)NCC1(c2ccccc2)CC1.
What is the InChIKey of (Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide?
The InChIKey is ACZGUZPWYJAGEK-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H18N2O/c21-17(10-9-16-8-4-5-13-19-16)20-14-18(11-12-18)15-6-2-1-3-7-15/h1-10,13H,11-12,14H2,(H,20,21)/b10-9-.
What are the key properties of (Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide?
(Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide has a molecular weight of 278.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1-phenylcyclopropyl)methyl]-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 98448468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).