N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C19H22ClN3O — CID 74241386

IUPACN-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(C1CCNC1)N(CCc1ccc(Cl)cc1)Cc1ccncc1
InChIInChI=1S/C19H22ClN3O/c20-18-3-1-15(2-4-18)8-12-23(14-16-5-9-21-10-6-16)19(24)17-7-11-22-13-17/h1-6,9-10,17,22H,7-8,11-14H2
InChIKeyLDSSXQJCLAVNKR-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 74241386) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID74241386
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(C1CCNC1)N(CCc1ccc(Cl)cc1)Cc1ccncc1
InChIInChI=1S/C19H22ClN3O/c20-18-3-1-15(2-4-18)8-12-23(14-16-5-9-21-10-6-16)19(24)17-7-11-22-13-17/h1-6,9-10,17,22H,7-8,11-14H2
InChIKeyLDSSXQJCLAVNKR-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide
CID 119688890
trans-(1S,3S)-N-[2-(4-chlorophenyl)ethyl]-3-hydroxy-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 91777723
N-[(4-chlorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005156
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770885
N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 54873767
N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 119743617
2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 51131658
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72922993
N-benzyl-N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005731
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119740768
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 74241386) is N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is O=C(C1CCNC1)N(CCc1ccc(Cl)cc1)Cc1ccncc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is LDSSXQJCLAVNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-18-3-1-15(2-4-18)8-12-23(14-16-5-9-21-10-6-16)19(24)17-7-11-22-13-17/h1-6,9-10,17,22H,7-8,11-14H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 74241386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).