N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide

C14H20ClN3O — CID 65488896

IUPACN-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2c(C)ccnc2Cl)CCNC1
InChIInChI=1S/C14H20ClN3O/c1-3-5-14(6-8-16-9-14)13(19)18-11-10(2)4-7-17-12(11)15/h4,7,16H,3,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyGWEOHNMUAWTTIO-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.76
Rot. Bonds4

About N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide

N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 65488896) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID65488896
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2c(C)ccnc2Cl)CCNC1
InChIInChI=1S/C14H20ClN3O/c1-3-5-14(6-8-16-9-14)13(19)18-11-10(2)4-7-17-12(11)15/h4,7,16H,3,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyGWEOHNMUAWTTIO-UHFFFAOYSA-N
XLogP2.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide
CID 103094157
N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide
CID 79734821
N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140297
5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63143879
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63138339
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
N-(4-bromo-2-methoxy-6-methylphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139955
N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139068
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 113433645
3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63138545

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide (CID 65488896) is N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2c(C)ccnc2Cl)CCNC1.
What is the InChIKey of N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is GWEOHNMUAWTTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-5-14(6-8-16-9-14)13(19)18-11-10(2)4-7-17-12(11)15/h4,7,16H,3,5-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide?
N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 65488896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).