N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide

C20H32N4O2 — CID 166229779

IUPACN',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)NCC(c1cccnc1)N1CCCC1
InChIInChI=1S/C20H32N4O2/c1-3-23(4-2)20(26)11-7-10-19(25)22-16-18(24-13-5-6-14-24)17-9-8-12-21-15-17/h8-9,12,15,18H,3-7,10-11,13-14,16H2,1-2H3,(H,22,25)
InChIKeySLOIWCQJHKCCLZ-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.37
Rot. Bonds10

About N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide

N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide (PubChem CID 166229779) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
PubChem CID166229779
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)NCC(c1cccnc1)N1CCCC1
InChIInChI=1S/C20H32N4O2/c1-3-23(4-2)20(26)11-7-10-19(25)22-16-18(24-13-5-6-14-24)17-9-8-12-21-15-17/h8-9,12,15,18H,3-7,10-11,13-14,16H2,1-2H3,(H,22,25)
InChIKeySLOIWCQJHKCCLZ-UHFFFAOYSA-N
XLogP2.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166227053
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
CID 110304070
3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
CID 97237164
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide
CID 50967901
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110621715
1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166207360
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
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
CID 131907416
5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45206058
2-ethyl-4-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 74246411
1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 99929015

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide?
The IUPAC name of N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide (CID 166229779) is N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide.
What is the SMILES notation for N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide?
The canonical SMILES for N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide is CCN(CC)C(=O)CCCC(=O)NCC(c1cccnc1)N1CCCC1.
What is the InChIKey of N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide?
The InChIKey is SLOIWCQJHKCCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-23(4-2)20(26)11-7-10-19(25)22-16-18(24-13-5-6-14-24)17-9-8-12-21-15-17/h8-9,12,15,18H,3-7,10-11,13-14,16H2,1-2H3,(H,22,25).
What are the key properties of N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide?
N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide has a molecular weight of 360.50 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide is sourced from PubChem (CID 166229779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).