4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide

C37H47N7O5 — CID 143797849

IUPAC4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide
SMILESC=C1CC(NC(=O)c2ccc(C(N)=O)c(Nc3ccc(OC)c(OCCN(C)C)c3)c2)CC(C)N1c1ccc(C(=O)NC2CCCC2)cn1
InChIInChI=1S/C37H47N7O5/c1-23-18-29(19-24(2)44(23)34-15-11-26(22-39-34)37(47)41-27-8-6-7-9-27)42-36(46)25-10-13-30(35(38)45)31(20-25)40-28-12-14-32(48-5)33(21-28)49-17-16-43(3)4/h10-15,20-22,24,27,29,40H,1,6-9,16-19H2,2-5H3,(H2,38,45)(H,41,47)(H,42,46)
InChIKeyUYMJHBRWWVYVAA-UHFFFAOYSA-N
MW669.83 g/mol
LogP4.85
Rot. Bonds13

About 4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide

4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide (PubChem CID 143797849) has the molecular formula C37H47N7O5 and a molecular weight of 669.83 g/mol. Its IUPAC name is 4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide
PubChem CID143797849
Molecular FormulaC37H47N7O5
Molecular Weight669.83 g/mol
Exact Mass669.36
IUPAC Name4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide
SMILESC=C1CC(NC(=O)c2ccc(C(N)=O)c(Nc3ccc(OC)c(OCCN(C)C)c3)c2)CC(C)N1c1ccc(C(=O)NC2CCCC2)cn1
InChIInChI=1S/C37H47N7O5/c1-23-18-29(19-24(2)44(23)34-15-11-26(22-39-34)37(47)41-27-8-6-7-9-27)42-36(46)25-10-13-30(35(38)45)31(20-25)40-28-12-14-32(48-5)33(21-28)49-17-16-43(3)4/h10-15,20-22,24,27,29,40H,1,6-9,16-19H2,2-5H3,(H2,38,45)(H,41,47)(H,42,46)
InChIKeyUYMJHBRWWVYVAA-UHFFFAOYSA-N
XLogP4.85
TPSA151.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500669.83
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-4-N-[2-methyl-6-methylidene-1-[5-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethylcarbamoyl]-2-pyridinyl]piperidin-4-yl]benzene-1,4-dicarboxamide
CID 143797807
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507
4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide
CID 143797965
2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 11854687
4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
CID 82070130
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067
6-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-3-carboxamide
CID 109152496
4-N-[1-(5-acetyl-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-2-(cyclohexylamino)benzene-1,4-dicarboxamide
CID 70906173

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide (CID 143797849) is 4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide is C=C1CC(NC(=O)c2ccc(C(N)=O)c(Nc3ccc(OC)c(OCCN(C)C)c3)c2)CC(C)N1c1ccc(C(=O)NC2CCCC2)cn1.
What is the InChIKey of 4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide?
The InChIKey is UYMJHBRWWVYVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47N7O5/c1-23-18-29(19-24(2)44(23)34-15-11-26(22-39-34)37(47)41-27-8-6-7-9-27)42-36(46)25-10-13-30(35(38)45)31(20-25)40-28-12-14-32(48-5)33(21-28)49-17-16-43(3)4/h10-15,20-22,24,27,29,40H,1,6-9,16-19H2,2-5H3,(H2,38,45)(H,41,47)(H,42,46).
What are the key properties of 4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide?
4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide has a molecular weight of 669.83 g/mol, XLogP of 4.85, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[5-(cyclopentylcarbamoyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-[3-[2-(dimethylamino)ethoxy]-4-methoxyanilino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 143797849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).