N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide

C47H48N6O8 — CID 135345298

IUPACN-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CN2CC(C3CC3C(=O)Nc3cc4cc(-c5cnccc5C)nc(N(Cc5ccc(OC)cc5OC)Cc5ccc(OC)cc5OC)c4cn3)OC2=O)cc1
InChIInChI=1S/C47H48N6O8/c1-28-15-16-48-22-38(28)40-17-32-18-44(51-46(54)37-21-36(37)43-27-53(47(55)61-43)24-29-7-11-33(56-2)12-8-29)49-23-39(32)45(50-40)52(25-30-9-13-34(57-3)19-41(30)59-5)26-31-10-14-35(58-4)20-42(31)60-6/h7-20,22-23,36-37,43H,21,24-27H2,1-6H3,(H,49,51,54)
InChIKeyBDVRUZPHKLHFPW-UHFFFAOYSA-N
MW824.93 g/mol
LogP7.85
Rot. Bonds16

About N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide

N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide (PubChem CID 135345298) has the molecular formula C47H48N6O8 and a molecular weight of 824.93 g/mol. Its IUPAC name is N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide
PubChem CID135345298
Molecular FormulaC47H48N6O8
Molecular Weight824.93 g/mol
Exact Mass824.35
IUPAC NameN-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CN2CC(C3CC3C(=O)Nc3cc4cc(-c5cnccc5C)nc(N(Cc5ccc(OC)cc5OC)Cc5ccc(OC)cc5OC)c4cn3)OC2=O)cc1
InChIInChI=1S/C47H48N6O8/c1-28-15-16-48-22-38(28)40-17-32-18-44(51-46(54)37-21-36(37)43-27-53(47(55)61-43)24-29-7-11-33(56-2)12-8-29)49-23-39(32)45(50-40)52(25-30-9-13-34(57-3)19-41(30)59-5)26-31-10-14-35(58-4)20-42(31)60-6/h7-20,22-23,36-37,43H,21,24-27H2,1-6H3,(H,49,51,54)
InChIKeyBDVRUZPHKLHFPW-UHFFFAOYSA-N
XLogP7.85
TPSA146.70 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.93
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-hydroxybicyclo[3.1.0]hexane-6-carboxamide
CID 135344824
N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(phenylmethoxymethyl)cyclopropane-1-carboxamide
CID 135344436
tert-butyl N-[2-[2-[4-[(1S,2S)-2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]pyrazol-1-yl]ethoxy]ethyl]carbamate
CID 135344674
2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoylamino]propanamide
CID 135344339
3-[4-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]-1-methylpyrrolidin-2-one
CID 135345092
tert-butyl 4-[4-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-hydroxyamino]phenyl]-3-oxopiperazine-1-carboxylate
CID 135345110
1-[8-[bis[(4-methoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 135345270
1-[8-[bis[(4-methoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-(1,3-thiazol-5-ylmethyl)urea
CID 135344957
N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-chloro-2,7-naphthyridin-3-yl]-2-cyanobicyclo[3.1.0]hexane-6-carboxamide
CID 135344496
ethyl 2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxylate
CID 135345499
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
CID 135345062
2-[[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-carbamoylamino]propanamide
CID 135344338

Frequently Asked Questions

What is the IUPAC name of N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide (CID 135345298) is N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide is COc1ccc(CN2CC(C3CC3C(=O)Nc3cc4cc(-c5cnccc5C)nc(N(Cc5ccc(OC)cc5OC)Cc5ccc(OC)cc5OC)c4cn3)OC2=O)cc1.
What is the InChIKey of N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide?
The InChIKey is BDVRUZPHKLHFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H48N6O8/c1-28-15-16-48-22-38(28)40-17-32-18-44(51-46(54)37-21-36(37)43-27-53(47(55)61-43)24-29-7-11-33(56-2)12-8-29)49-23-39(32)45(50-40)52(25-30-9-13-34(57-3)19-41(30)59-5)26-31-10-14-35(58-4)20-42(31)60-6/h7-20,22-23,36-37,43H,21,24-27H2,1-6H3,(H,49,51,54).
What are the key properties of N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide?
N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide has a molecular weight of 824.93 g/mol, XLogP of 7.85, 16 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135345298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).