N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide

C11H17N3O2 — CID 146699889

IUPACN'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide
SMILESNC(=O)CCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C11H17N3O2/c12-10(15)2-1-3-11(16)14-7-5-9-4-6-13-8-9/h6,8H,1-5,7H2,(H2,12,15)(H,14,16)
InChIKeyQTBJCHUPVOUPAO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.51
Rot. Bonds7

About N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide

N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide (PubChem CID 146699889) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide.

Molecular Properties

Compound NameN'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide
PubChem CID146699889
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide
SMILESNC(=O)CCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C11H17N3O2/c12-10(15)2-1-3-11(16)14-7-5-9-4-6-13-8-9/h6,8H,1-5,7H2,(H2,12,15)(H,14,16)
InChIKeyQTBJCHUPVOUPAO-UHFFFAOYSA-N
XLogP0.51
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 59561910
4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide
CID 123553028
4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 146841645
5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide
CID 147982421
4-(diaminomethylideneamino)-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 148211035
6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide
CID 149138375
5-oxo-N-[2-(3H-pyrrol-4-yl)ethyl]decanamide
CID 149239901
N-[2-(3H-pyrrol-4-yl)ethyl]propanamide
CID 159709332
4-amino-N-methyl-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 160082015

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide?
The IUPAC name of N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide (CID 146699889) is N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide.
What is the SMILES notation for N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide?
The canonical SMILES for N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide is NC(=O)CCCC(=O)NCCC1=CN=CC1.
What is the InChIKey of N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide?
The InChIKey is QTBJCHUPVOUPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-10(15)2-1-3-11(16)14-7-5-9-4-6-13-8-9/h6,8H,1-5,7H2,(H2,12,15)(H,14,16).
What are the key properties of N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide?
N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide has a molecular weight of 223.28 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide is sourced from PubChem (CID 146699889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).