butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride

C16H26ClN3O3 — CID 142644170

IUPACbutyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride
SMILESCCCCOC(=O)NC(CCCC)C(=O)Nc1ccccn1.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-3-5-9-13(18-16(21)22-12-6-4-2)15(20)19-14-10-7-8-11-17-14;/h7-8,10-11,13H,3-6,9,12H2,1-2H3,(H,18,21)(H,17,19,20);1H
InChIKeyNVJKZEBQOBMRKR-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.53
Rot. Bonds9

About butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride

butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride (PubChem CID 142644170) has the molecular formula C16H26ClN3O3 and a molecular weight of 343.86 g/mol. Its IUPAC name is butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride.

Molecular Properties

Compound Namebutyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride
PubChem CID142644170
Molecular FormulaC16H26ClN3O3
Molecular Weight343.86 g/mol
Exact Mass343.17
IUPAC Namebutyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride
SMILESCCCCOC(=O)NC(CCCC)C(=O)Nc1ccccn1.Cl
InChIInChI=1S/C16H25N3O3.ClH/c1-3-5-9-13(18-16(21)22-12-6-4-2)15(20)19-14-10-7-8-11-17-14;/h7-8,10-11,13H,3-6,9,12H2,1-2H3,(H,18,21)(H,17,19,20);1H
InChIKeyNVJKZEBQOBMRKR-UHFFFAOYSA-N
XLogP3.53
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(pyridin-2-ylcarbamoylamino)hexanoic acid
CID 110491750
benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate
CID 1131245
(2S)-2-(pyridin-2-ylmethoxycarbonylamino)hexanoic acid
CID 54309144
butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate
CID 69446621
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
butyl N-[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 172825180
4-methylpentyl 2-[2-(butoxycarbonylamino)hexanoylamino]hexanoate
CID 91729869
butyl N-(1-phenylethyl)carbamate
CID 571821
6-amino-2-[[2-[[2-(butoxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
CID 21120613
methyl (2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoate
CID 91746288
3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 64895452
butyl N-[1-[(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)amino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 70796481

Frequently Asked Questions

What is the IUPAC name of butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride?
The IUPAC name of butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride (CID 142644170) is butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride.
What is the SMILES notation for butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride?
The canonical SMILES for butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride is CCCCOC(=O)NC(CCCC)C(=O)Nc1ccccn1.Cl.
What is the InChIKey of butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride?
The InChIKey is NVJKZEBQOBMRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.ClH/c1-3-5-9-13(18-16(21)22-12-6-4-2)15(20)19-14-10-7-8-11-17-14;/h7-8,10-11,13H,3-6,9,12H2,1-2H3,(H,18,21)(H,17,19,20);1H.
What are the key properties of butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride?
butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]carbamate;hydrochloride is sourced from PubChem (CID 142644170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).