2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide

C25H25N5O3 — CID 142029841

IUPAC2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide
SMILES[H]/N=C(\N)c1cccc(OC(C(=O)Nc2ccc(C(=O)N3CCCC3)cn2)c2ccccc2)c1
InChIInChI=1S/C25H25N5O3/c26-23(27)18-9-6-10-20(15-18)33-22(17-7-2-1-3-8-17)24(31)29-21-12-11-19(16-28-21)25(32)30-13-4-5-14-30/h1-3,6-12,15-16,22H,4-5,13-14H2,(H3,26,27)(H,28,29,31)
InChIKeyGSLPJMOFGFQTDS-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.36
Rot. Bonds7

About 2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide

2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide (PubChem CID 142029841) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide
PubChem CID142029841
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide
SMILES[H]/N=C(\N)c1cccc(OC(C(=O)Nc2ccc(C(=O)N3CCCC3)cn2)c2ccccc2)c1
InChIInChI=1S/C25H25N5O3/c26-23(27)18-9-6-10-20(15-18)33-22(17-7-2-1-3-8-17)24(31)29-21-12-11-19(16-28-21)25(32)30-13-4-5-14-30/h1-3,6-12,15-16,22H,4-5,13-14H2,(H3,26,27)(H,28,29,31)
InChIKeyGSLPJMOFGFQTDS-UHFFFAOYSA-N
XLogP3.36
TPSA121.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-carbamimidoylphenoxy)-N-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 69337970
2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 10297265
2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 10111369
2-(3-carbamimidoylphenoxy)-N-(5-chloro-2-methyl-4-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 142029871
1-benzoyl-N-[2-(3-carbamimidoylphenoxy)ethyl]piperidine-4-carboxamide
CID 59749324
N-(5-methyl-2-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 60543327
4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide
CID 18382168
ethyl 3-(3-carbamimidoylphenyl)-3-[[3-chloro-4-(pyrrolidine-1-carbonyl)benzoyl]amino]propanoate
CID 10116150
3-[3-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide
CID 22241150
(4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone
CID 60582399
3-[1-[5-(1-phenylethyl)pyridine-3-carbonyl]piperidin-4-yl]benzenecarboximidamide;hydrochloride
CID 67192901
2-[(5-carbamimidoyl-2-pyridinyl)carbamoylamino]-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 59864122

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide (CID 142029841) is 2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide is [H]/N=C(\N)c1cccc(OC(C(=O)Nc2ccc(C(=O)N3CCCC3)cn2)c2ccccc2)c1.
What is the InChIKey of 2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide?
The InChIKey is GSLPJMOFGFQTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c26-23(27)18-9-6-10-20(15-18)33-22(17-7-2-1-3-8-17)24(31)29-21-12-11-19(16-28-21)25(32)30-13-4-5-14-30/h1-3,6-12,15-16,22H,4-5,13-14H2,(H3,26,27)(H,28,29,31).
What are the key properties of 2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide?
2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 142029841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).