1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide

C14H19N3O — CID 170745081

IUPAC1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide
SMILESCn1cccc/c1=N\C(=O)C1(C)CN(C2CC2)C1
InChIInChI=1S/C14H19N3O/c1-14(9-17(10-14)11-6-7-11)13(18)15-12-5-3-4-8-16(12)2/h3-5,8,11H,6-7,9-10H2,1-2H3/b15-12+
InChIKeyMMUJGCORVCNJEU-NTCAYCPXSA-N
MW245.33 g/mol
LogP0.94
Rot. Bonds2

About 1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide

1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide (PubChem CID 170745081) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide
PubChem CID170745081
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide
SMILESCn1cccc/c1=N\C(=O)C1(C)CN(C2CC2)C1
InChIInChI=1S/C14H19N3O/c1-14(9-17(10-14)11-6-7-11)13(18)15-12-5-3-4-8-16(12)2/h3-5,8,11H,6-7,9-10H2,1-2H3/b15-12+
InChIKeyMMUJGCORVCNJEU-NTCAYCPXSA-N
XLogP0.94
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide (CID 170745081) is 1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide is Cn1cccc/c1=N\C(=O)C1(C)CN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide?
The InChIKey is MMUJGCORVCNJEU-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(9-17(10-14)11-6-7-11)13(18)15-12-5-3-4-8-16(12)2/h3-5,8,11H,6-7,9-10H2,1-2H3/b15-12+.
What are the key properties of 1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide?
1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-N-(1-methyl-2-pyridinylidene)azetidine-3-carboxamide is sourced from PubChem (CID 170745081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).