N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

C22H28N4O2 — CID 134013173

IUPACN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccnc1N1CCCC1
InChIInChI=1S/C22H28N4O2/c1-24(17-18-6-8-19(9-7-18)25-13-15-28-16-14-25)22(27)20-5-4-10-23-21(20)26-11-2-3-12-26/h4-10H,2-3,11-17H2,1H3
InChIKeyHLWCSLMLFQFMQV-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.79
Rot. Bonds5

About N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 134013173) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID134013173
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccnc1N1CCCC1
InChIInChI=1S/C22H28N4O2/c1-24(17-18-6-8-19(9-7-18)25-13-15-28-16-14-25)22(27)20-5-4-10-23-21(20)26-11-2-3-12-26/h4-10H,2-3,11-17H2,1H3
InChIKeyHLWCSLMLFQFMQV-UHFFFAOYSA-N
XLogP2.79
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 134013173) is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccnc1N1CCCC1.
What is the InChIKey of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is HLWCSLMLFQFMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-24(17-18-6-8-19(9-7-18)25-13-15-28-16-14-25)22(27)20-5-4-10-23-21(20)26-11-2-3-12-26/h4-10H,2-3,11-17H2,1H3.
What are the key properties of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 134013173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).