methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate

C26H29N5O4 — CID 164884835

IUPACmethyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate
SMILESCOC(=O)NCCN(C(C)=O)c1ccc(-c2ccc(C(=O)NCc3cccnc3C)cn2)cc1C
InChIInChI=1S/C26H29N5O4/c1-17-14-20(8-10-24(17)31(19(3)32)13-12-28-26(34)35-4)23-9-7-22(16-29-23)25(33)30-15-21-6-5-11-27-18(21)2/h5-11,14,16H,12-13,15H2,1-4H3,(H,28,34)(H,30,33)
InChIKeyGVLBANQXNGRMOU-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.40
Rot. Bonds8

About methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate

methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate (PubChem CID 164884835) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate
PubChem CID164884835
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Namemethyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate
SMILESCOC(=O)NCCN(C(C)=O)c1ccc(-c2ccc(C(=O)NCc3cccnc3C)cn2)cc1C
InChIInChI=1S/C26H29N5O4/c1-17-14-20(8-10-24(17)31(19(3)32)13-12-28-26(34)35-4)23-9-7-22(16-29-23)25(33)30-15-21-6-5-11-27-18(21)2/h5-11,14,16H,12-13,15H2,1-4H3,(H,28,34)(H,30,33)
InChIKeyGVLBANQXNGRMOU-UHFFFAOYSA-N
XLogP3.40
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate with MolForge

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Related Compounds

6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 164884821
6-(4-amino-3-cyanophenyl)-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 164884825
N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
CID 113063198
N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide
CID 138702079
N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149720
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide
CID 113057667
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113057678
6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide
CID 166131176
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42195214

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate (CID 164884835) is methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate is COC(=O)NCCN(C(C)=O)c1ccc(-c2ccc(C(=O)NCc3cccnc3C)cn2)cc1C.
What is the InChIKey of methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate?
The InChIKey is GVLBANQXNGRMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-17-14-20(8-10-24(17)31(19(3)32)13-12-28-26(34)35-4)23-9-7-22(16-29-23)25(33)30-15-21-6-5-11-27-18(21)2/h5-11,14,16H,12-13,15H2,1-4H3,(H,28,34)(H,30,33).
What are the key properties of methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate?
methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate has a molecular weight of 475.55 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[N-acetyl-2-methyl-4-[5-[(2-methyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]anilino]ethyl]carbamate is sourced from PubChem (CID 164884835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).