4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide

C24H30ClN5O3 — CID 129143800

IUPAC4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N3CCN(C(=O)C4CCCCO4)CC3)c(N)c2)cc1Cl
InChIInChI=1S/C24H30ClN5O3/c1-28(2)23(31)18-7-6-16(13-19(18)25)17-14-20(26)22(27-15-17)29-8-10-30(11-9-29)24(32)21-5-3-4-12-33-21/h6-7,13-15,21H,3-5,8-12,26H2,1-2H3
InChIKeyPTPRNZLLXJKJJB-UHFFFAOYSA-N
MW471.99 g/mol
LogP2.90
Rot. Bonds4

About 4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide

4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide (PubChem CID 129143800) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is 4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide
PubChem CID129143800
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC Name4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N3CCN(C(=O)C4CCCCO4)CC3)c(N)c2)cc1Cl
InChIInChI=1S/C24H30ClN5O3/c1-28(2)23(31)18-7-6-16(13-19(18)25)17-14-20(26)22(27-15-17)29-8-10-30(11-9-29)24(32)21-5-3-4-12-33-21/h6-7,13-15,21H,3-5,8-12,26H2,1-2H3
InChIKeyPTPRNZLLXJKJJB-UHFFFAOYSA-N
XLogP2.90
TPSA92.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide with MolForge

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Related Compounds

4-[5-amino-6-(4-cyclohexylsulfinylpiperazin-1-yl)-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide
CID 129144059
2-methylpropyl 4-[3-amino-5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]piperazine-1-carboxylate
CID 129143861
[4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 83970308
4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-3-cyano-2-pyridinyl]piperazine-1-carbonyl chloride
CID 129115797
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
2-chloro-4-[5-cyano-6-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylbenzamide
CID 129143784
2-chloro-4-[5-cyano-6-(4-propan-2-ylsulfanylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 145309714
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
4-[6-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide
CID 129143741
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide (CID 129143800) is 4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(N3CCN(C(=O)C4CCCCO4)CC3)c(N)c2)cc1Cl.
What is the InChIKey of 4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide?
The InChIKey is PTPRNZLLXJKJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3/c1-28(2)23(31)18-7-6-16(13-19(18)25)17-14-20(26)22(27-15-17)29-8-10-30(11-9-29)24(32)21-5-3-4-12-33-21/h6-7,13-15,21H,3-5,8-12,26H2,1-2H3.
What are the key properties of 4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide?
4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide has a molecular weight of 471.99 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[4-(oxane-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 129143800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).