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

C21H31N5O3 — CID 131953995

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)nn1C)C1CCOCC1
InChIInChI=1S/C21H31N5O3/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/h11,16-17H,6-10,12H2,1-5H3,(H,22,28)
InChIKeyDVNZXXJLPSHWFZ-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.03
Rot. Bonds6

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide (PubChem CID 131953995) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide
PubChem CID131953995
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)nn1C)C1CCOCC1
InChIInChI=1S/C21H31N5O3/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/h11,16-17H,6-10,12H2,1-5H3,(H,22,28)
InChIKeyDVNZXXJLPSHWFZ-UHFFFAOYSA-N
XLogP2.03
TPSA88.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 90168465
5-[3-(dimethylamino)prop-1-ynyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 146899483
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
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane
CID 162283960
5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide
CID 78056399
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[(1,1-dioxothian-4-yl)-ethylamino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 89086593
5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide
CID 146899493
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide
CID 131953991
5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[[4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridin-3-yl]methyl]thiophene-3-carboxamide
CID 131953998
3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-4-propan-2-yl-3H-pyridin-3-yl)methyl]-5-[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 118797746
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
CID 122362641
5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 131954019

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide (CID 131953995) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide is CCN(c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)nn1C)C1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide?
The InChIKey is DVNZXXJLPSHWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/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/h11,16-17H,6-10,12H2,1-5H3,(H,22,28).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 131953995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).