N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C14H21N3O — CID 54873750

IUPACN-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)N(Cc1cccnc1)C(=O)C1CCCN1
InChIInChI=1S/C14H21N3O/c1-11(2)17(10-12-5-3-7-15-9-12)14(18)13-6-4-8-16-13/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3
InChIKeyHELKSOXGUGTVOH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.57
Rot. Bonds4

About N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 54873750) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID54873750
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC(C)N(Cc1cccnc1)C(=O)C1CCCN1
InChIInChI=1S/C14H21N3O/c1-11(2)17(10-12-5-3-7-15-9-12)14(18)13-6-4-8-16-13/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3
InChIKeyHELKSOXGUGTVOH-UHFFFAOYSA-N
XLogP1.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587
N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958234
(2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 104901002
4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 60962806
N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421266
N-(2-hydroxy-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxamide
CID 70940989
2-(methylamino)-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62636984
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
(2S)-N-propan-2-yl-N-propylpyrrolidine-2-carboxamide
CID 61156228
(2R)-N-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 93173809
methyl 2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetate
CID 60947765
2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159901

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 54873750) is N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is CC(C)N(Cc1cccnc1)C(=O)C1CCCN1.
What is the InChIKey of N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is HELKSOXGUGTVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)17(10-12-5-3-7-15-9-12)14(18)13-6-4-8-16-13/h3,5,7,9,11,13,16H,4,6,8,10H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 54873750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).