N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

C27H23N3O4 — CID 55630301

IUPACN-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C27H23N3O4/c1-2-33-22-12-14-23(15-13-22)34-25-11-4-3-10-24(25)30-26(31)19-7-5-9-21(17-19)29-27(32)20-8-6-16-28-18-20/h3-18H,2H2,1H3,(H,29,32)(H,30,31)
InChIKeyHCOGFXXLKCTQHR-UHFFFAOYSA-N
MW453.50 g/mol
LogP5.78
Rot. Bonds8

About N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 55630301) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID55630301
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC NameN-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(Oc2ccccc2NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C27H23N3O4/c1-2-33-22-12-14-23(15-13-22)34-25-11-4-3-10-24(25)30-26(31)19-7-5-9-21(17-19)29-27(32)20-8-6-16-28-18-20/h3-18H,2H2,1H3,(H,29,32)(H,30,31)
InChIKeyHCOGFXXLKCTQHR-UHFFFAOYSA-N
XLogP5.78
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.50
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
N-[2-(4-methylphenoxy)phenyl]pyridine-3-carboxamide
CID 38504749
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
3-(2-amino-2-oxoethoxy)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 35680500
5-N-(2-ethoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108895
6-chloro-N-[2-(4-ethoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26243696
N-[2-(4-ethoxyphenoxy)phenyl]-3-nitrobenzamide
CID 7925385
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
4-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 26243690
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 56534476
N-[2-(4-ethoxyphenoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 29224760

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 55630301) is N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is CCOc1ccc(Oc2ccccc2NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1.
What is the InChIKey of N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is HCOGFXXLKCTQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-2-33-22-12-14-23(15-13-22)34-25-11-4-3-10-24(25)30-26(31)19-7-5-9-21(17-19)29-27(32)20-8-6-16-28-18-20/h3-18H,2H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55630301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).