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

C24H32ClN3O3 — CID 146899493

IUPAC5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)[C@H]1CCO[C@@H](C)C1
InChIInChI=1S/C24H32ClN3O3/c1-6-28(19-7-8-31-16(4)10-19)22-12-18(25)11-20(17(22)5)23(29)26-13-21-14(2)9-15(3)27-24(21)30/h9,11-12,16,19,21H,6-8,10,13H2,1-5H3,(H,26,29)/t16-,19-,21?/m0/s1
InChIKeyOCJIWQJEBWPHHB-ZRAKIVDLSA-N
MW445.99 g/mol
LogP4.34
Rot. Bonds6

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

5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide (PubChem CID 146899493) has the molecular formula C24H32ClN3O3 and a molecular weight of 445.99 g/mol. Its IUPAC name is 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide
PubChem CID146899493
Molecular FormulaC24H32ClN3O3
Molecular Weight445.99 g/mol
Exact Mass445.21
IUPAC Name5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)[C@H]1CCO[C@@H](C)C1
InChIInChI=1S/C24H32ClN3O3/c1-6-28(19-7-8-31-16(4)10-19)22-12-18(25)11-20(17(22)5)23(29)26-13-21-14(2)9-15(3)27-24(21)30/h9,11-12,16,19,21H,6-8,10,13H2,1-5H3,(H,26,29)/t16-,19-,21?/m0/s1
InChIKeyOCJIWQJEBWPHHB-ZRAKIVDLSA-N
XLogP4.34
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide?
The IUPAC name of 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) is 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-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-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide is CCN(c1cc(Cl)cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)[C@H]1CCO[C@@H](C)C1.
What is the InChIKey of 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide?
The InChIKey is OCJIWQJEBWPHHB-ZRAKIVDLSA-N. The full InChI is InChI=1S/C24H32ClN3O3/c1-6-28(19-7-8-31-16(4)10-19)22-12-18(25)11-20(17(22)5)23(29)26-13-21-14(2)9-15(3)27-24(21)30/h9,11-12,16,19,21H,6-8,10,13H2,1-5H3,(H,26,29)/t16-,19-,21?/m0/s1.
What are the key properties of 5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide?
5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide has a molecular weight of 445.99 g/mol, XLogP of 4.34, 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-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide is sourced from PubChem (CID 146899493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).