5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one

C16H24N4O — CID 31043549

IUPAC5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one
SMILESCc1cc(CN(C)Cc2cnn(C(C)C)c2)c(=O)[nH]c1C
InChIInChI=1S/C16H24N4O/c1-11(2)20-9-14(7-17-20)8-19(5)10-15-6-12(3)13(4)18-16(15)21/h6-7,9,11H,8,10H2,1-5H3,(H,18,21)
InChIKeyUWLSTZRLXBLBBS-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.40
Rot. Bonds5

About 5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one

5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one (PubChem CID 31043549) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one
PubChem CID31043549
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one
SMILESCc1cc(CN(C)Cc2cnn(C(C)C)c2)c(=O)[nH]c1C
InChIInChI=1S/C16H24N4O/c1-11(2)20-9-14(7-17-20)8-19(5)10-15-6-12(3)13(4)18-16(15)21/h6-7,9,11H,8,10H2,1-5H3,(H,18,21)
InChIKeyUWLSTZRLXBLBBS-UHFFFAOYSA-N
XLogP2.40
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 31846147
5-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 53566944
3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 71878621
6-methyl-2-oxo-N-(3-pyrazol-1-ylpropyl)-1H-pyridine-3-carboxamide
CID 72049372
6-methyl-1-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2(1H)-one
CID 72886307
1-methyl-N-[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 75461476
N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide
CID 97390065
1-(Cyclopropylmethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97390071
1-[2-(Dimethylamino)ethyl]-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466790
1-Ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 118740886
1-Methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 118740889
1-[2-(Dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 118746635

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one (CID 31043549) is 5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one is Cc1cc(CN(C)Cc2cnn(C(C)C)c2)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one?
The InChIKey is UWLSTZRLXBLBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)20-9-14(7-17-20)8-19(5)10-15-6-12(3)13(4)18-16(15)21/h6-7,9,11H,8,10H2,1-5H3,(H,18,21).
What are the key properties of 5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one?
5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one has a molecular weight of 288.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 31043549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).