3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine

C14H18ClN3 — CID 170867108

IUPAC3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cccn1-c1ccc(Cl)cn1
InChIInChI=1S/C14H18ClN3/c1-17(2)9-3-5-13-6-4-10-18(13)14-8-7-12(15)11-16-14/h4,6-8,10-11H,3,5,9H2,1-2H3
InChIKeyOUKNBPWORWNHSS-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.02
Rot. Bonds5

About 3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine

3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine (PubChem CID 170867108) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine
PubChem CID170867108
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cccn1-c1ccc(Cl)cn1
InChIInChI=1S/C14H18ClN3/c1-17(2)9-3-5-13-6-4-10-18(13)14-8-7-12(15)11-16-14/h4,6-8,10-11H,3,5,9H2,1-2H3
InChIKeyOUKNBPWORWNHSS-UHFFFAOYSA-N
XLogP3.02
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine (CID 170867108) is 3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1cccn1-c1ccc(Cl)cn1.
What is the InChIKey of 3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is OUKNBPWORWNHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-17(2)9-3-5-13-6-4-10-18(13)14-8-7-12(15)11-16-14/h4,6-8,10-11H,3,5,9H2,1-2H3.
What are the key properties of 3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine?
3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170867108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).