N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide

C29H32N2O6 — CID 155563083

IUPACN-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide
SMILESCOc1ccc(N(CCOCc2ccccc2)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC
InChIInChI=1S/C29H32N2O6/c1-29(2)16-15-21-23(37-29)12-11-22(26(21)34-4)28(32)31(17-18-36-19-20-9-7-6-8-10-20)25-14-13-24(33-3)27(30-25)35-5/h6-16H,17-19H2,1-5H3
InChIKeyDNIYQPISRKYFQH-UHFFFAOYSA-N
MW504.58 g/mol
LogP5.16
Rot. Bonds10

About N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide

N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide (PubChem CID 155563083) has the molecular formula C29H32N2O6 and a molecular weight of 504.58 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide
PubChem CID155563083
Molecular FormulaC29H32N2O6
Molecular Weight504.58 g/mol
Exact Mass504.23
IUPAC NameN-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide
SMILESCOc1ccc(N(CCOCc2ccccc2)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC
InChIInChI=1S/C29H32N2O6/c1-29(2)16-15-21-23(37-29)12-11-22(26(21)34-4)28(32)31(17-18-36-19-20-9-7-6-8-10-20)25-14-13-24(33-3)27(30-25)35-5/h6-16H,17-19H2,1-5H3
InChIKeyDNIYQPISRKYFQH-UHFFFAOYSA-N
XLogP5.16
TPSA79.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.58
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-piperidin-4-ylethyl)chromene-6-carboxamide
CID 155546289
1-(5-methoxy-2,2-dimethylchromen-6-yl)ethanone
CID 10879004
4-(3,4-dimethoxyphenoxy)-1-(5-methoxy-2,2-dimethylchromen-6-yl)but-2-yn-1-one
CID 11292723
1-(4-ethoxy-2-phenylmethoxyphenyl)-2-[6-(hydroxymethyl)-7-methoxy-2,2-dimethylchromen-5-yl]oxyethanone
CID 155595897
(3E,5Z)-1-(5-methoxy-2,2-dimethylchromen-6-yl)-3,6-dimethylocta-3,5,7-trien-1-one
CID 130368831
1-(4-ethyl-2-phenylmethoxyphenyl)-2-[6-(hydroxymethyl)-2,2-dimethylchromen-5-yl]oxyethanone
CID 165158217
(NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine
CID 134146904
(6-acetyl-2,2-dimethylchromen-5-yl) acetate
CID 162951359
(5-methoxy-2,2-dimethylchromen-8-yl)-(2-methoxyphenyl)methanone
CID 132850797
3-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(2-phenylmethoxy-4-propylphenyl)prop-2-enoic acid
CID 150377710
1-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 118199612
methyl 3-(5-hydroxy-2,2-dimethylchromen-6-yl)-2-(2-phenylmethoxy-4-propoxyphenyl)prop-2-enoate
CID 122531286

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide?
The IUPAC name of N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide (CID 155563083) is N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide.
What is the SMILES notation for N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide?
The canonical SMILES for N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide is COc1ccc(N(CCOCc2ccccc2)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-phenylmethoxyethyl)chromene-6-carboxamide?
The InChIKey is DNIYQPISRKYFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O6/c1-29(2)16-15-21-23(37-29)12-11-22(26(21)34-4)28(32)31(17-18-36-19-20-9-7-6-8-10-20)25-14-13-24(33-3)27(30-25)35-5/h6-16H,17-19H2,1-5H3.
What are the key properties of N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide?
N-(5,6-dimethoxy-2-pyridinyl)-5-methoxy-2,2-dimethyl-N-(2-phenylmethoxyethyl)chromene-6-carboxamide has a molecular weight of 504.58 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 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-phenylmethoxyethyl)chromene-6-carboxamide is sourced from PubChem (CID 155563083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).