N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide

C16H15Cl2N3O — CID 119515328

IUPACN-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
SMILESNc1ccc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)cn1
InChIInChI=1S/C16H15Cl2N3O/c17-12-4-2-10(8-13(12)18)16(6-1-7-16)15(22)21-11-3-5-14(19)20-9-11/h2-5,8-9H,1,6-7H2,(H2,19,20)(H,21,22)
InChIKeyAYQTYYVIEBITGS-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.03
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide

N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide (PubChem CID 119515328) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
PubChem CID119515328
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC NameN-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
SMILESNc1ccc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)cn1
InChIInChI=1S/C16H15Cl2N3O/c17-12-4-2-10(8-13(12)18)16(6-1-7-16)15(22)21-11-3-5-14(19)20-9-11/h2-5,8-9H,1,6-7H2,(H2,19,20)(H,21,22)
InChIKeyAYQTYYVIEBITGS-UHFFFAOYSA-N
XLogP4.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119516222
N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 70937866
N-(6-amino-3-pyridinyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119515549
1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354
1-(3,4-dichlorophenyl)-N-pyrimidin-2-ylcyclobutane-1-carboxamide
CID 122146724
N-(6-amino-3-pyridinyl)-1-methylcyclobutane-1-carboxamide;hydrochloride
CID 119515764
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279
1-(3,4-dichlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclobutane-1-carboxamide
CID 111779691
N-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 119515163
N-(6-amino-3-pyridinyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119515973
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide (CID 119515328) is N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide is Nc1ccc(NC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide?
The InChIKey is AYQTYYVIEBITGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-12-4-2-10(8-13(12)18)16(6-1-7-16)15(22)21-11-3-5-14(19)20-9-11/h2-5,8-9H,1,6-7H2,(H2,19,20)(H,21,22).
What are the key properties of N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide?
N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide has a molecular weight of 336.22 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 119515328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).