N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide

C15H17N5O2 — CID 154877105

IUPACN-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide
SMILESC=CC(=O)N1CC(C(=O)NCc2nnc3ccc(C)cn23)C1
InChIInChI=1S/C15H17N5O2/c1-3-14(21)19-8-11(9-19)15(22)16-6-13-18-17-12-5-4-10(2)7-20(12)13/h3-5,7,11H,1,6,8-9H2,2H3,(H,16,22)
InChIKeyCSYRZSAJFCYHQZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.30
Rot. Bonds4

About N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide

N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide (PubChem CID 154877105) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide
PubChem CID154877105
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide
SMILESC=CC(=O)N1CC(C(=O)NCc2nnc3ccc(C)cn23)C1
InChIInChI=1S/C15H17N5O2/c1-3-14(21)19-8-11(9-19)15(22)16-6-13-18-17-12-5-4-10(2)7-20(12)13/h3-5,7,11H,1,6,8-9H2,2H3,(H,16,22)
InChIKeyCSYRZSAJFCYHQZ-UHFFFAOYSA-N
XLogP0.30
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5,6-dimethyl-2-pyridinyl)methyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 154876940
(3S)-N-benzyl-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 170709592
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166416108
2-[2-(diethylamino)ethylsulfanyl]-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]acetamide
CID 126827491
N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 166299331
2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 105436826
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
(3S)-N-(2-phenylpropyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889923
N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 166420510
1-prop-2-enoyl-N-(3-pyrazin-2-ylpropyl)azetidine-3-carboxamide
CID 154876938
N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 169079209
3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257179

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide?
The IUPAC name of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide (CID 154877105) is N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide.
What is the SMILES notation for N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide?
The canonical SMILES for N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide is C=CC(=O)N1CC(C(=O)NCc2nnc3ccc(C)cn23)C1.
What is the InChIKey of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide?
The InChIKey is CSYRZSAJFCYHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-3-14(21)19-8-11(9-19)15(22)16-6-13-18-17-12-5-4-10(2)7-20(12)13/h3-5,7,11H,1,6,8-9H2,2H3,(H,16,22).
What are the key properties of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide?
N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1-prop-2-enoylazetidine-3-carboxamide is sourced from PubChem (CID 154877105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).