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

C25H35ClN4O3 — CID 90151560

IUPAC5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2c(CN(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C25H35ClN4O3/c1-6-30(20-7-9-33-10-8-20)23-13-19(26)12-21(17(23)3)24(31)27-14-22-18(15-29(4)5)11-16(2)28-25(22)32/h11-13,20H,6-10,14-15H2,1-5H3,(H,27,31)(H,28,32)
InChIKeyLJQWUZDYMUQTTG-UHFFFAOYSA-N
MW475.03 g/mol
LogP3.64
Rot. Bonds8

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

5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide (PubChem CID 90151560) has the molecular formula C25H35ClN4O3 and a molecular weight of 475.03 g/mol. Its IUPAC name is 5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
PubChem CID90151560
Molecular FormulaC25H35ClN4O3
Molecular Weight475.03 g/mol
Exact Mass474.24
IUPAC Name5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
SMILESCCN(c1cc(Cl)cc(C(=O)NCc2c(CN(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChIInChI=1S/C25H35ClN4O3/c1-6-30(20-7-9-33-10-8-20)23-13-19(26)12-21(17(23)3)24(31)27-14-22-18(15-29(4)5)11-16(2)28-25(22)32/h11-13,20H,6-10,14-15H2,1-5H3,(H,27,31)(H,28,32)
InChIKeyLJQWUZDYMUQTTG-UHFFFAOYSA-N
XLogP3.64
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.03
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
The IUPAC name of 5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide (CID 90151560) is 5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide is CCN(c1cc(Cl)cc(C(=O)NCc2c(CN(C)C)cc(C)[nH]c2=O)c1C)C1CCOCC1.
What is the InChIKey of 5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
The InChIKey is LJQWUZDYMUQTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN4O3/c1-6-30(20-7-9-33-10-8-20)23-13-19(26)12-21(17(23)3)24(31)27-14-22-18(15-29(4)5)11-16(2)28-25(22)32/h11-13,20H,6-10,14-15H2,1-5H3,(H,27,31)(H,28,32).
What are the key properties of 5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?
5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide has a molecular weight of 475.03 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-1H-pyridin-3-yl]methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide is sourced from PubChem (CID 90151560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).