N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide

C24H32N4O3 — CID 86895908

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide
SMILESCc1cc(C)c(CNC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(=O)[nH]1
InChIInChI=1S/C24H32N4O3/c1-16-10-12-28(13-11-16)20-6-4-19(5-7-20)27-23(30)9-8-22(29)25-15-21-17(2)14-18(3)26-24(21)31/h4-7,14,16H,8-13,15H2,1-3H3,(H,25,29)(H,26,31)(H,27,30)
InChIKeyOYNRNECPCQDHLT-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.26
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide (PubChem CID 86895908) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide
PubChem CID86895908
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide
SMILESCc1cc(C)c(CNC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(=O)[nH]1
InChIInChI=1S/C24H32N4O3/c1-16-10-12-28(13-11-16)20-6-4-19(5-7-20)27-23(30)9-8-22(29)25-15-21-17(2)14-18(3)26-24(21)31/h4-7,14,16H,8-13,15H2,1-3H3,(H,25,29)(H,26,31)(H,27,30)
InChIKeyOYNRNECPCQDHLT-UHFFFAOYSA-N
XLogP3.26
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703367
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
3-[cyclopropyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113136398
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
5,8-dimethyl-3-[[4-(4-methylpiperidin-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46950102
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]hexanamide
CID 38743387
2-(azepan-1-ium-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 9298190
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 109032069
2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703578
2-(2,5-dioxoimidazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110698550
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121990

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide (CID 86895908) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide is Cc1cc(C)c(CNC(=O)CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide?
The InChIKey is OYNRNECPCQDHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-16-10-12-28(13-11-16)20-6-4-19(5-7-20)27-23(30)9-8-22(29)25-15-21-17(2)14-18(3)26-24(21)31/h4-7,14,16H,8-13,15H2,1-3H3,(H,25,29)(H,26,31)(H,27,30).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide has a molecular weight of 424.55 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]butanediamide is sourced from PubChem (CID 86895908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).