N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide

C22H20N4O4 — CID 56545663

IUPACN-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCCNC(=O)c3cccnc3)cc2)cc1
InChIInChI=1S/C22H20N4O4/c23-20(27)15-3-7-18(8-4-15)30-19-9-5-16(6-10-19)21(28)25-12-13-26-22(29)17-2-1-11-24-14-17/h1-11,14H,12-13H2,(H2,23,27)(H,25,28)(H,26,29)
InChIKeyBIMCWOVZKIWSLD-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.13
Rot. Bonds8

About N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide

N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 56545663) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID56545663
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC NameN-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NCCNC(=O)c3cccnc3)cc2)cc1
InChIInChI=1S/C22H20N4O4/c23-20(27)15-3-7-18(8-4-15)30-19-9-5-16(6-10-19)21(28)25-12-13-26-22(29)17-2-1-11-24-14-17/h1-11,14H,12-13H2,(H2,23,27)(H,25,28)(H,26,29)
InChIKeyBIMCWOVZKIWSLD-UHFFFAOYSA-N
XLogP2.13
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide
CID 60622603
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
prop-2-enyl N-[2-(pyridine-3-carbonylamino)ethyl]carbamate
CID 108570449
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-4-phenoxybenzamide
CID 4788207
N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide
CID 143062034
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690188

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide (CID 56545663) is N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(C(=O)NCCNC(=O)c3cccnc3)cc2)cc1.
What is the InChIKey of N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is BIMCWOVZKIWSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c23-20(27)15-3-7-18(8-4-15)30-19-9-5-16(6-10-19)21(28)25-12-13-26-22(29)17-2-1-11-24-14-17/h1-11,14H,12-13H2,(H2,23,27)(H,25,28)(H,26,29).
What are the key properties of N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 56545663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).