N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

C17H17Cl2N3O — CID 9403592

IUPACN-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1cccnc1N1CCCC1
InChIInChI=1S/C17H17Cl2N3O/c18-13-6-5-12(15(19)10-13)11-21-17(23)14-4-3-7-20-16(14)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2,(H,21,23)
InChIKeyQTKQOJQTCYFIOF-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.92
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 9403592) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID9403592
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1cccnc1N1CCCC1
InChIInChI=1S/C17H17Cl2N3O/c18-13-6-5-12(15(19)10-13)11-21-17(23)14-4-3-7-20-16(14)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2,(H,21,23)
InChIKeyQTKQOJQTCYFIOF-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134055846
N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55799150
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119407815
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 78886067
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 84576944
N-[(2,4-dichlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159727206
2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide
CID 75512496
3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide
CID 22992257

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 9403592) is N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)c1cccnc1N1CCCC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is QTKQOJQTCYFIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-13-6-5-12(15(19)10-13)11-21-17(23)14-4-3-7-20-16(14)22-8-1-2-9-22/h3-7,10H,1-2,8-9,11H2,(H,21,23).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 350.25 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 9403592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).