3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide

C20H29N3O — CID 97237164

IUPAC3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
SMILESO=C(CC(C1CC1)C1CC1)NC[C@@H](c1cccnc1)N1CCCC1
InChIInChI=1S/C20H29N3O/c24-20(12-18(15-5-6-15)16-7-8-16)22-14-19(23-10-1-2-11-23)17-4-3-9-21-13-17/h3-4,9,13,15-16,18-19H,1-2,5-8,10-12,14H2,(H,22,24)/t19-/m0/s1
InChIKeyWPYSIXWVBAJEKR-IBGZPJMESA-N
MW327.47 g/mol
LogP3.16
Rot. Bonds8

About 3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide

3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 97237164) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID97237164
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
SMILESO=C(CC(C1CC1)C1CC1)NC[C@@H](c1cccnc1)N1CCCC1
InChIInChI=1S/C20H29N3O/c24-20(12-18(15-5-6-15)16-7-8-16)22-14-19(23-10-1-2-11-23)17-4-3-9-21-13-17/h3-4,9,13,15-16,18-19H,1-2,5-8,10-12,14H2,(H,22,24)/t19-/m0/s1
InChIKeyWPYSIXWVBAJEKR-IBGZPJMESA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166227053
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166229779
1-(cyclopropylmethyl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166248647
4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide
CID 166229786
2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
CID 90652629
3-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide
CID 51901056
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97187717
4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 74234117
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
CID 18101910
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide
CID 50967901

Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide (CID 97237164) is 3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide is O=C(CC(C1CC1)C1CC1)NC[C@@H](c1cccnc1)N1CCCC1.
What is the InChIKey of 3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is WPYSIXWVBAJEKR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H29N3O/c24-20(12-18(15-5-6-15)16-7-8-16)22-14-19(23-10-1-2-11-23)17-4-3-9-21-13-17/h3-4,9,13,15-16,18-19H,1-2,5-8,10-12,14H2,(H,22,24)/t19-/m0/s1.
What are the key properties of 3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide?
3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 327.47 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 97237164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).