N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide

C22H31N5O — CID 109153888

IUPACN-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(C(=O)NCCN(C)C)cn3)CC2)c1C
InChIInChI=1S/C22H31N5O/c1-17-6-5-7-20(18(17)2)26-12-14-27(15-13-26)21-9-8-19(16-24-21)22(28)23-10-11-25(3)4/h5-9,16H,10-15H2,1-4H3,(H,23,28)
InChIKeyVPKFFTIBOOFMEJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.32
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 109153888) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID109153888
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(C(=O)NCCN(C)C)cn3)CC2)c1C
InChIInChI=1S/C22H31N5O/c1-17-6-5-7-20(18(17)2)26-12-14-27(15-13-26)21-9-8-19(16-24-21)22(28)23-10-11-25(3)4/h5-9,16H,10-15H2,1-4H3,(H,23,28)
InChIKeyVPKFFTIBOOFMEJ-UHFFFAOYSA-N
XLogP2.32
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153645
N-[3-(dimethylamino)propyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 109115996
6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154403
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109265
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167023
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 109222825
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109155117
6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 68738487
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155589
N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159593

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide (CID 109153888) is N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide is Cc1cccc(N2CCN(c3ccc(C(=O)NCCN(C)C)cn3)CC2)c1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is VPKFFTIBOOFMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-17-6-5-7-20(18(17)2)26-12-14-27(15-13-26)21-9-8-19(16-24-21)22(28)23-10-11-25(3)4/h5-9,16H,10-15H2,1-4H3,(H,23,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 109153888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).