N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide

C27H35N3O5 — CID 155546289

IUPACN-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide
SMILESCOc1ccc(N(CCC2CCNCC2)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC
InChIInChI=1S/C27H35N3O5/c1-27(2)14-10-19-21(35-27)7-6-20(24(19)33-4)26(31)30(17-13-18-11-15-28-16-12-18)23-9-8-22(32-3)25(29-23)34-5/h6-10,14,18,28H,11-13,15-17H2,1-5H3
InChIKeyZZDYXBXNKNBWJG-UHFFFAOYSA-N
MW481.59 g/mol
LogP4.33
Rot. Bonds8

About N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide

N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide (PubChem CID 155546289) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide
PubChem CID155546289
Molecular FormulaC27H35N3O5
Molecular Weight481.59 g/mol
Exact Mass481.26
IUPAC NameN-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide
SMILESCOc1ccc(N(CCC2CCNCC2)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC
InChIInChI=1S/C27H35N3O5/c1-27(2)14-10-19-21(35-27)7-6-20(24(19)33-4)26(31)30(17-13-18-11-15-28-16-12-18)23-9-8-22(32-3)25(29-23)34-5/h6-10,14,18,28H,11-13,15-17H2,1-5H3
InChIKeyZZDYXBXNKNBWJG-UHFFFAOYSA-N
XLogP4.33
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide with MolForge

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Related Compounds

5-methoxy-N-[3-methoxy-4-(3-piperidin-4-ylpropoxy)phenyl]-2,2-dimethylchromene-6-carboxamide
CID 147002071
1-(3-bromo-2,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-1-one
CID 103524254
1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one
CID 118199588
1-(6-amino-2-methoxy-3-pyridinyl)-3-piperidin-4-ylpropan-1-one
CID 22262657
(3E,5Z)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-3,6-dimethylocta-3,5,7-trien-1-one
CID 130368831
3-methoxy-N,4-dimethyl-N-(2-piperidin-4-ylethyl)benzamide
CID 60914907
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
CID 66573258
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 118199612
1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride
CID 24843580
4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
(2S)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)propan-1-one;(2S)-2-(3-methoxy-4-methylphenyl)propanal;sulfane
CID 161356678

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide?
The IUPAC name of N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide (CID 155546289) is N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide.
What is the SMILES notation for N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide?
The canonical SMILES for N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide is COc1ccc(N(CCC2CCNCC2)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC.
What is the InChIKey of N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide?
The InChIKey is ZZDYXBXNKNBWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-27(2)14-10-19-21(35-27)7-6-20(24(19)33-4)26(31)30(17-13-18-11-15-28-16-12-18)23-9-8-22(32-3)25(29-23)34-5/h6-10,14,18,28H,11-13,15-17H2,1-5H3.
What are the key properties of N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide?
N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide has a molecular weight of 481.59 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide is sourced from PubChem (CID 155546289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).