N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

C17H26N4O3 — CID 50964429

IUPACN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCc1c[nH]c(CNC(=O)CC2C(=O)NCCN2C(C)C)c(C)c1=O
InChIInChI=1S/C17H26N4O3/c1-10(2)21-6-5-18-17(24)14(21)7-15(22)20-9-13-12(4)16(23)11(3)8-19-13/h8,10,14H,5-7,9H2,1-4H3,(H,18,24)(H,19,23)(H,20,22)
InChIKeyVCQRZUZIBXSEEX-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.21
Rot. Bonds5

About N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide

N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (PubChem CID 50964429) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
PubChem CID50964429
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
SMILESCc1c[nH]c(CNC(=O)CC2C(=O)NCCN2C(C)C)c(C)c1=O
InChIInChI=1S/C17H26N4O3/c1-10(2)21-6-5-18-17(24)14(21)7-15(22)20-9-13-12(4)16(23)11(3)8-19-13/h8,10,14H,5-7,9H2,1-4H3,(H,18,24)(H,19,23)(H,20,22)
InChIKeyVCQRZUZIBXSEEX-UHFFFAOYSA-N
XLogP0.21
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[[(4-hydroxy-3,5-dimethyl-2-pyridinyl)methyl](methyl)amino]acetamide
CID 91842484
N-{1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl}-1,6-dimethyl-4-oxo-1,4-dihydropyridine-3-carboxamide
CID 118782015
1-{1-[(4-Hydroxy-3,5-dimethyl-2-pyridinyl)methyl]-3-piperidinyl}-2-pyrrolidinone
CID 56868714
3,9-dimethyl-2-(3-methylcyclobutyl)-1,8-dioxo-N-propyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 146357796
3-Butyl-4-[(4-hydroxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-2-piperazinone
CID 70778478
N-[(3S,5S)-5-[(ethylamino)carbonyl]-1-(3-methyl-2-buten-1-yl)-3-pyrrolidinyl]-4-hydroxy-6-methylnicotinamide
CID 72847982
N-{(3R,5S)-5-[(diethylamino)carbonyl]-1-methyl-3-pyrrolidinyl}-4-hydroxy-6-methylnicotinamide
CID 72938186
N-[(4-hydroxy-3,5-dimethylpyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide
CID 91796818
1-(cyclopropylcarbonyl)-N-[(4-hydroxy-3,5-dimethylpyridin-2-yl)methyl]piperidine-2-carboxamide
CID 91831075
3-[[(4-hydroxy-3,5-dimethyl-2-pyridinyl)methyl](methyl)amino]-N-methylbutanamide
CID 91831436
2-[Ethyl(methyl)amino]-N-[(4-hydroxy-3,5-dimethylpyridin-2-YL)methyl]butanamide
CID 91842188
3,5-dimethyl-2-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 95548975

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide (CID 50964429) is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The canonical SMILES for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is Cc1c[nH]c(CNC(=O)CC2C(=O)NCCN2C(C)C)c(C)c1=O.
What is the InChIKey of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
The InChIKey is VCQRZUZIBXSEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-10(2)21-6-5-18-17(24)14(21)7-15(22)20-9-13-12(4)16(23)11(3)8-19-13/h8,10,14H,5-7,9H2,1-4H3,(H,18,24)(H,19,23)(H,20,22).
What are the key properties of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide?
N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide is sourced from PubChem (CID 50964429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).