N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide

C35H44N4O5 — CID 135249066

IUPACN-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide
SMILESCCN(C(=O)C1CCOCC1)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C35H44N4O5/c1-5-39(35(42)28-10-14-43-15-11-28)32-20-29(27-8-6-26(7-9-27)22-38-12-16-44-17-13-38)19-30(25(32)4)33(40)36-21-31-23(2)18-24(3)37-34(31)41/h6-9,18-20,28H,5,10-17,21-22H2,1-4H3,(H,36,40)(H,37,41)
InChIKeyDENODOKGCNTEOM-UHFFFAOYSA-N
MW600.76 g/mol
LogP4.51
Rot. Bonds9

About N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide

N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide (PubChem CID 135249066) has the molecular formula C35H44N4O5 and a molecular weight of 600.76 g/mol. Its IUPAC name is N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide
PubChem CID135249066
Molecular FormulaC35H44N4O5
Molecular Weight600.76 g/mol
Exact Mass600.33
IUPAC NameN-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide
SMILESCCN(C(=O)C1CCOCC1)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C35H44N4O5/c1-5-39(35(42)28-10-14-43-15-11-28)32-20-29(27-8-6-26(7-9-27)22-38-12-16-44-17-13-38)19-30(25(32)4)33(40)36-21-31-23(2)18-24(3)37-34(31)41/h6-9,18-20,28H,5,10-17,21-22H2,1-4H3,(H,36,40)(H,37,41)
InChIKeyDENODOKGCNTEOM-UHFFFAOYSA-N
XLogP4.51
TPSA103.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.76
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide?
The IUPAC name of N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide (CID 135249066) is N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide.
What is the SMILES notation for N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide?
The canonical SMILES for N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide is CCN(C(=O)C1CCOCC1)c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.
What is the InChIKey of N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide?
The InChIKey is DENODOKGCNTEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N4O5/c1-5-39(35(42)28-10-14-43-15-11-28)32-20-29(27-8-6-26(7-9-27)22-38-12-16-44-17-13-38)19-30(25(32)4)33(40)36-21-31-23(2)18-24(3)37-34(31)41/h6-9,18-20,28H,5,10-17,21-22H2,1-4H3,(H,36,40)(H,37,41).
What are the key properties of N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide?
N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide has a molecular weight of 600.76 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-N-ethyloxane-4-carboxamide is sourced from PubChem (CID 135249066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).