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

C16H24N4O2 — CID 166227053

IUPACN'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
SMILESNC(=O)CCCC(=O)NCC(c1cccnc1)N1CCCC1
InChIInChI=1S/C16H24N4O2/c17-15(21)6-3-7-16(22)19-12-14(20-9-1-2-10-20)13-5-4-8-18-11-13/h4-5,8,11,14H,1-3,6-7,9-10,12H2,(H2,17,21)(H,19,22)
InChIKeyUUXNQBNFVTXZRE-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.99
Rot. Bonds8

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

N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide (PubChem CID 166227053) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide.

Molecular Properties

Compound NameN'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
PubChem CID166227053
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
SMILESNC(=O)CCCC(=O)NCC(c1cccnc1)N1CCCC1
InChIInChI=1S/C16H24N4O2/c17-15(21)6-3-7-16(22)19-12-14(20-9-1-2-10-20)13-5-4-8-18-11-13/h4-5,8,11,14H,1-3,6-7,9-10,12H2,(H2,17,21)(H,19,22)
InChIKeyUUXNQBNFVTXZRE-UHFFFAOYSA-N
XLogP0.99
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166229779
3,3-dicyclopropyl-N-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]propanamide
CID 97237164
4-[2-oxo-2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)amino]ethoxy]benzamide
CID 166229786
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)butanamide
CID 110304070
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
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
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 74234117
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97187717
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 N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide?
The IUPAC name of N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide (CID 166227053) is N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide.
What is the SMILES notation for N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide?
The canonical SMILES for N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide is NC(=O)CCCC(=O)NCC(c1cccnc1)N1CCCC1.
What is the InChIKey of N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide?
The InChIKey is UUXNQBNFVTXZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c17-15(21)6-3-7-16(22)19-12-14(20-9-1-2-10-20)13-5-4-8-18-11-13/h4-5,8,11,14H,1-3,6-7,9-10,12H2,(H2,17,21)(H,19,22).
What are the key properties of N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide?
N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide has a molecular weight of 304.39 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide is sourced from PubChem (CID 166227053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).