butyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate

C21H25N3O3 — CID 173118973

IUPACbutyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate
SMILESCCCCOC(=O)Nc1cncc(-c2ccccc2)c1C(=O)N1CCCC1
InChIInChI=1S/C21H25N3O3/c1-2-3-13-27-21(26)23-18-15-22-14-17(16-9-5-4-6-10-16)19(18)20(25)24-11-7-8-12-24/h4-6,9-10,14-15H,2-3,7-8,11-13H2,1H3,(H,23,26)
InChIKeyMAYOKAYYZHFOHV-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.33
Rot. Bonds6

About butyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate

butyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate (PubChem CID 173118973) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is butyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebutyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate
PubChem CID173118973
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Namebutyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate
SMILESCCCCOC(=O)Nc1cncc(-c2ccccc2)c1C(=O)N1CCCC1
InChIInChI=1S/C21H25N3O3/c1-2-3-13-27-21(26)23-18-15-22-14-17(16-9-5-4-6-10-16)19(18)20(25)24-11-7-8-12-24/h4-6,9-10,14-15H,2-3,7-8,11-13H2,1H3,(H,23,26)
InChIKeyMAYOKAYYZHFOHV-UHFFFAOYSA-N
XLogP4.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-(butoxycarbonylamino)-6-butylbenzoic acid
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2-(azepan-1-yl)ethyl N-(2-pentoxyphenyl)carbamate;hydrochloride
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3-[2-(butoxycarbonylamino)phenyl]propanoic acid
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butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate
CID 123490166
[4-(2-butoxybenzoyl)-1,4-diazepan-1-yl]-(2-butoxyphenyl)methanone
CID 4981271
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
dodecyl N-phenylcarbamate
CID 521818
butyl N-(2,6-diethylphenyl)carbamate
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methyl 2-[2-(butoxycarbonylamino)phenyl]-2-oxoacetate
CID 70472077

Frequently Asked Questions

What is the IUPAC name of butyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate?
The IUPAC name of butyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate (CID 173118973) is butyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate.
What is the SMILES notation for butyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate?
The canonical SMILES for butyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate is CCCCOC(=O)Nc1cncc(-c2ccccc2)c1C(=O)N1CCCC1.
What is the InChIKey of butyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate?
The InChIKey is MAYOKAYYZHFOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-3-13-27-21(26)23-18-15-22-14-17(16-9-5-4-6-10-16)19(18)20(25)24-11-7-8-12-24/h4-6,9-10,14-15H,2-3,7-8,11-13H2,1H3,(H,23,26).
What are the key properties of butyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate?
butyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate has a molecular weight of 367.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[5-phenyl-4-(pyrrolidine-1-carbonyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 173118973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).