N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide

C15H19N3O2 — CID 154876940

IUPACN-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide
SMILESC=CC(=O)N1CC(C(=O)NCc2ccc(C)c(C)n2)C1
InChIInChI=1S/C15H19N3O2/c1-4-14(19)18-8-12(9-18)15(20)16-7-13-6-5-10(2)11(3)17-13/h4-6,12H,1,7-9H2,2-3H3,(H,16,20)
InChIKeyKORQUCXPYHJABO-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds4

About N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide

N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide (PubChem CID 154876940) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide
PubChem CID154876940
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide
SMILESC=CC(=O)N1CC(C(=O)NCc2ccc(C)c(C)n2)C1
InChIInChI=1S/C15H19N3O2/c1-4-14(19)18-8-12(9-18)15(20)16-7-13-6-5-10(2)11(3)17-13/h4-6,12H,1,7-9H2,2-3H3,(H,16,20)
InChIKeyKORQUCXPYHJABO-UHFFFAOYSA-N
XLogP0.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.96
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

N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 154877105
(3S)-N-benzyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 170709592
1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide
CID 154876938
5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide
CID 172888596
N-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 154876961
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166416108
N-(2-methyl-5-phenylmethoxyphenyl)-1-prop-2-enoylazetidine-3-carboxamide
CID 166420523
N-[2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 166419305
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide
CID 73440375
(3S)-N-(2-phenylpropyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889923
N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 166420165

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide?
The IUPAC name of N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide (CID 154876940) is N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide.
What is the SMILES notation for N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide?
The canonical SMILES for N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide is C=CC(=O)N1CC(C(=O)NCc2ccc(C)c(C)n2)C1.
What is the InChIKey of N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide?
The InChIKey is KORQUCXPYHJABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-14(19)18-8-12(9-18)15(20)16-7-13-6-5-10(2)11(3)17-13/h4-6,12H,1,7-9H2,2-3H3,(H,16,20).
What are the key properties of N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide?
N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide is sourced from PubChem (CID 154876940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).