N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid

C34H52N8O6 — CID 158290580

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid
SMILESCCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)nn1C)C1CCOCC1.CCN(c1c(C)c(C(=O)O)nn1C)C1CCOCC1
InChIInChI=1S/C21H31N5O3.C13H21N3O3/c1-6-26(16-7-9-29-10-8-16)21-15(4)18(24-25(21)5)20(28)22-12-17-13(2)11-14(3)23-19(17)27;1-4-16(10-5-7-19-8-6-10)12-9(2)11(13(17)18)14-15(12)3/h11,16H,6-10,12H2,1-5H3,(H,22,28)(H,23,27);10H,4-8H2,1-3H3,(H,17,18)
InChIKeyGLHMDZXITMEIQI-UHFFFAOYSA-N
MW668.84 g/mol
LogP3.40
Rot. Bonds10

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid (PubChem CID 158290580) has the molecular formula C34H52N8O6 and a molecular weight of 668.84 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid
PubChem CID158290580
Molecular FormulaC34H52N8O6
Molecular Weight668.84 g/mol
Exact Mass668.40
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid
SMILESCCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)nn1C)C1CCOCC1.CCN(c1c(C)c(C(=O)O)nn1C)C1CCOCC1
InChIInChI=1S/C21H31N5O3.C13H21N3O3/c1-6-26(16-7-9-29-10-8-16)21-15(4)18(24-25(21)5)20(28)22-12-17-13(2)11-14(3)23-19(17)27;1-4-16(10-5-7-19-8-6-10)12-9(2)11(13(17)18)14-15(12)3/h11,16H,6-10,12H2,1-5H3,(H,22,28)(H,23,27);10H,4-8H2,1-3H3,(H,17,18)
InChIKeyGLHMDZXITMEIQI-UHFFFAOYSA-N
XLogP3.40
TPSA159.84 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid with MolForge

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(4-methylphenyl)benzamide
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5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-methylthiophene-2-carboxamide
CID 86764910
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-(4-ethylphenyl)-2-methylbenzamide
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CID 156626813
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
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4-[2-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl(oxan-4-yl)amino]-4-methylphenyl]ethynyl]piperidine-1-carboxylic acid
CID 90101421
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CID 90150961
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N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]benzamide
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N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethenyl-3-[ethyl-[4-[methyl(oxan-4-yl)amino]cyclohexyl]amino]-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid (CID 158290580) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid is CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)nn1C)C1CCOCC1.CCN(c1c(C)c(C(=O)O)nn1C)C1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid?
The InChIKey is GLHMDZXITMEIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3.C13H21N3O3/c1-6-26(16-7-9-29-10-8-16)21-15(4)18(24-25(21)5)20(28)22-12-17-13(2)11-14(3)23-19(17)27;1-4-16(10-5-7-19-8-6-10)12-9(2)11(13(17)18)14-15(12)3/h11,16H,6-10,12H2,1-5H3,(H,22,28)(H,23,27);10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid has a molecular weight of 668.84 g/mol, XLogP of 3.40, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide;5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 158290580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).