N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide

C23H23N3O3 — CID 39577664

IUPACN-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(COC(c1ccccc1)c1ccccc1)NCCNC(=O)c1cccnc1
InChIInChI=1S/C23H23N3O3/c27-21(25-14-15-26-23(28)20-12-7-13-24-16-20)17-29-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,16,22H,14-15,17H2,(H,25,27)(H,26,28)
InChIKeyIXRZQVRYZWODBU-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.73
Rot. Bonds9

About N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide

N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 39577664) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID39577664
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(COC(c1ccccc1)c1ccccc1)NCCNC(=O)c1cccnc1
InChIInChI=1S/C23H23N3O3/c27-21(25-14-15-26-23(28)20-12-7-13-24-16-20)17-29-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,16,22H,14-15,17H2,(H,25,27)(H,26,28)
InChIKeyIXRZQVRYZWODBU-UHFFFAOYSA-N
XLogP2.73
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39577143
2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate
CID 69106862
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-(3-cyclopropyl-3-phenylpropyl)pyridine-3-carboxamide
CID 84510606
N-[2-[[N-ethyl-N'-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111403093
N-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111055575
N-[2-(2-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 67172955
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide
CID 170079188
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
CID 108926648

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide (CID 39577664) is N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide is O=C(COC(c1ccccc1)c1ccccc1)NCCNC(=O)c1cccnc1.
What is the InChIKey of N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is IXRZQVRYZWODBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-21(25-14-15-26-23(28)20-12-7-13-24-16-20)17-29-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,16,22H,14-15,17H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide?
N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 39577664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).