methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate

C16H19N3O2 — CID 113029848

IUPACmethyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C16H19N3O2/c1-21-16(20)19-15-10-9-14(12-18-15)17-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3,(H,18,19,20)
InChIKeyAKUNZWJXMSYYEN-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.30
Rot. Bonds6

About methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate

methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate (PubChem CID 113029848) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate
PubChem CID113029848
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C16H19N3O2/c1-21-16(20)19-15-10-9-14(12-18-15)17-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3,(H,18,19,20)
InChIKeyAKUNZWJXMSYYEN-UHFFFAOYSA-N
XLogP3.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.30
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

3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide
CID 113029802
2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide
CID 113029843
N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide
CID 113029807
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113028481
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194935
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113029860
N-[5-(3-phenylpropylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113029836
N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160785
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028482

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate (CID 113029848) is methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate is COC(=O)Nc1ccc(NCCCc2ccccc2)cn1.
What is the InChIKey of methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate?
The InChIKey is AKUNZWJXMSYYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-16(20)19-15-10-9-14(12-18-15)17-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3,(H,18,19,20).
What are the key properties of methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate?
methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate has a molecular weight of 285.35 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113029848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).