3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide

C14H21N3O — CID 170745082

IUPAC3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide
SMILESCC(C)N1CC(C)(C(=O)/N=c2\ccccn2C)C1
InChIInChI=1S/C14H21N3O/c1-11(2)17-9-14(3,10-17)13(18)15-12-7-5-6-8-16(12)4/h5-8,11H,9-10H2,1-4H3/b15-12+
InChIKeyPUJHLPZQAJJBQG-NTCAYCPXSA-N
MW247.34 g/mol
LogP1.18
Rot. Bonds2

About 3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide

3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide (PubChem CID 170745082) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide
PubChem CID170745082
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide
SMILESCC(C)N1CC(C)(C(=O)/N=c2\ccccn2C)C1
InChIInChI=1S/C14H21N3O/c1-11(2)17-9-14(3,10-17)13(18)15-12-7-5-6-8-16(12)4/h5-8,11H,9-10H2,1-4H3/b15-12+
InChIKeyPUJHLPZQAJJBQG-NTCAYCPXSA-N
XLogP1.18
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide (CID 170745082) is 3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide is CC(C)N1CC(C)(C(=O)/N=c2\ccccn2C)C1.
What is the InChIKey of 3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide?
The InChIKey is PUJHLPZQAJJBQG-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)17-9-14(3,10-17)13(18)15-12-7-5-6-8-16(12)4/h5-8,11H,9-10H2,1-4H3/b15-12+.
What are the key properties of 3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide?
3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methyl-2-pyridinylidene)-1-propan-2-ylazetidine-3-carboxamide is sourced from PubChem (CID 170745082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).