5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide

C22H29ClN4O2 — CID 78056399

IUPAC5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)C1CN(C)C1
InChIInChI=1S/C22H29ClN4O2/c1-6-27(17-11-26(5)12-17)20-9-16(23)8-18(15(20)4)21(28)24-10-19-13(2)7-14(3)25-22(19)29/h7-9,17,19H,6,10-12H2,1-5H3,(H,24,28)
InChIKeyFWKQHOXNEUXXDE-UHFFFAOYSA-N
MW416.95 g/mol
LogP3.08
Rot. Bonds6

About 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide

5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide (PubChem CID 78056399) has the molecular formula C22H29ClN4O2 and a molecular weight of 416.95 g/mol. Its IUPAC name is 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide
PubChem CID78056399
Molecular FormulaC22H29ClN4O2
Molecular Weight416.95 g/mol
Exact Mass416.20
IUPAC Name5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)C1CN(C)C1
InChIInChI=1S/C22H29ClN4O2/c1-6-27(17-11-26(5)12-17)20-9-16(23)8-18(15(20)4)21(28)24-10-19-13(2)7-14(3)25-22(19)29/h7-9,17,19H,6,10-12H2,1-5H3,(H,24,28)
InChIKeyFWKQHOXNEUXXDE-UHFFFAOYSA-N
XLogP3.08
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-3H-pyridin-3-yl)methyl]-3-[(1,1-dioxothian-4-yl)-ethylamino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 89086593
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
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide
CID 131953995
5-chloro-N-[(6-chloro-2-methyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide
CID 90237797
5-chloro-N-[(2,6-dimethyl-4-oxo-3H-pyridin-5-yl)methyl]-3-[ethyl-[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylbenzamide
CID 90237578
5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1-methylimidazol-4-yl)methyl]benzamide
CID 86288041
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,7-dimethyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylbenzamide
CID 158394729
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylpropoxy)ethyl]indolizine-7-carboxamide
CID 156907462
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 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide?
The IUPAC name of 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide (CID 78056399) is 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide is CCN(c1cc(Cl)cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)C1CN(C)C1.
What is the InChIKey of 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide?
The InChIKey is FWKQHOXNEUXXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O2/c1-6-27(17-11-26(5)12-17)20-9-16(23)8-18(15(20)4)21(28)24-10-19-13(2)7-14(3)25-22(19)29/h7-9,17,19H,6,10-12H2,1-5H3,(H,24,28).
What are the key properties of 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide?
5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide has a molecular weight of 416.95 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide is sourced from PubChem (CID 78056399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).