2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide

C14H22N4O — CID 82994231

IUPAC2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(N2CCNC(C)(C)C2)n1
InChIInChI=1S/C14H22N4O/c1-9-7-10(2)17-13(11(9)12(15)19)18-6-5-16-14(3,4)8-18/h7,16H,5-6,8H2,1-4H3,(H2,15,19)
InChIKeyYYHNLWVRSNTCLH-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.99
Rot. Bonds2

About 2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide

2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 82994231) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide
PubChem CID82994231
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(N2CCNC(C)(C)C2)n1
InChIInChI=1S/C14H22N4O/c1-9-7-10(2)17-13(11(9)12(15)19)18-6-5-16-14(3,4)8-18/h7,16H,5-6,8H2,1-4H3,(H2,15,19)
InChIKeyYYHNLWVRSNTCLH-UHFFFAOYSA-N
XLogP0.99
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide (CID 82994231) is 2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(N2CCNC(C)(C)C2)n1.
What is the InChIKey of 2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is YYHNLWVRSNTCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-7-10(2)17-13(11(9)12(15)19)18-6-5-16-14(3,4)8-18/h7,16H,5-6,8H2,1-4H3,(H2,15,19).
What are the key properties of 2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide?
2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 82994231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).