N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide

C16H25N3O — CID 106979980

IUPACN-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(C)CCc2ccncc2)CCNC1
InChIInChI=1S/C16H25N3O/c1-13(2)16(7-10-18-12-16)15(20)19(3)11-6-14-4-8-17-9-5-14/h4-5,8-9,13,18H,6-7,10-12H2,1-3H3
InChIKeyJZHCYWQBLYCMQJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.72
Rot. Bonds5

About N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide

N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 106979980) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
PubChem CID106979980
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(C)CCc2ccncc2)CCNC1
InChIInChI=1S/C16H25N3O/c1-13(2)16(7-10-18-12-16)15(20)19(3)11-6-14-4-8-17-9-5-14/h4-5,8-9,13,18H,6-7,10-12H2,1-3H3
InChIKeyJZHCYWQBLYCMQJ-UHFFFAOYSA-N
XLogP1.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 106979981
N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980020
N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979682
N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide
CID 106980739
1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977831
N-[(3,4-difluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980069
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980175
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980192
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980151
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977816

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (CID 106979980) is N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is CC(C)C1(C(=O)N(C)CCc2ccncc2)CCNC1.
What is the InChIKey of N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is JZHCYWQBLYCMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)16(7-10-18-12-16)15(20)19(3)11-6-14-4-8-17-9-5-14/h4-5,8-9,13,18H,6-7,10-12H2,1-3H3.
What are the key properties of N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106979980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).