N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide

C27H33N3O3 — CID 22459286

IUPACN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C27H33N3O3/c1-19(2)30(20(3)4)15-16-33-26-17-23(12-14-25(26)32-5)29-27(31)22-11-13-24(28-18-22)21-9-7-6-8-10-21/h6-14,17-20H,15-16H2,1-5H3,(H,29,31)
InChIKeyYGTGTZRFMKKXIV-UHFFFAOYSA-N
MW447.58 g/mol
LogP5.51
Rot. Bonds10

About N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide (PubChem CID 22459286) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide
PubChem CID22459286
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)cc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C27H33N3O3/c1-19(2)30(20(3)4)15-16-33-26-17-23(12-14-25(26)32-5)29-27(31)22-11-13-24(28-18-22)21-9-7-6-8-10-21/h6-14,17-20H,15-16H2,1-5H3,(H,29,31)
InChIKeyYGTGTZRFMKKXIV-UHFFFAOYSA-N
XLogP5.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide
CID 18672596
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide
CID 18672554
3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
CID 142006317
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide
CID 86591615
2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
CID 142006320
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
CID 139932885
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(furan-2-yl)acetamide
CID 139919411
N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162326
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide
CID 54439942
N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide
CID 18672530
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide
CID 10139496

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide (CID 22459286) is N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(-c3ccccc3)nc2)cc1OCCN(C(C)C)C(C)C.
What is the InChIKey of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide?
The InChIKey is YGTGTZRFMKKXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-19(2)30(20(3)4)15-16-33-26-17-23(12-14-25(26)32-5)29-27(31)22-11-13-24(28-18-22)21-9-7-6-8-10-21/h6-14,17-20H,15-16H2,1-5H3,(H,29,31).
What are the key properties of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide?
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 22459286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).