2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide

C15H20N4O — CID 116675182

IUPAC2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESCC(C(=O)Nc1cccnc1N1CCCC1)=C1CNC1
InChIInChI=1S/C15H20N4O/c1-11(12-9-16-10-12)15(20)18-13-5-4-6-17-14(13)19-7-2-3-8-19/h4-6,16H,2-3,7-10H2,1H3,(H,18,20)
InChIKeyMWFQELKZKLJNMS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.54
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide

2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide (PubChem CID 116675182) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
PubChem CID116675182
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESCC(C(=O)Nc1cccnc1N1CCCC1)=C1CNC1
InChIInChI=1S/C15H20N4O/c1-11(12-9-16-10-12)15(20)18-13-5-4-6-17-14(13)19-7-2-3-8-19/h4-6,16H,2-3,7-10H2,1H3,(H,18,20)
InChIKeyMWFQELKZKLJNMS-UHFFFAOYSA-N
XLogP1.54
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 63998437
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 115426176
2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 47354331
4-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 47041032
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 60788894
4-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 61215202
4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60847644
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 106111464

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide (CID 116675182) is 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide is CC(C(=O)Nc1cccnc1N1CCCC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The InChIKey is MWFQELKZKLJNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(12-9-16-10-12)15(20)18-13-5-4-6-17-14(13)19-7-2-3-8-19/h4-6,16H,2-3,7-10H2,1H3,(H,18,20).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 116675182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).