N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide

C18H21N3O2 — CID 113027369

IUPACN-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)C2CCC2)nc1
InChIInChI=1S/C18H21N3O2/c1-23-16-8-3-2-5-14(16)11-19-15-9-10-17(20-12-15)21-18(22)13-6-4-7-13/h2-3,5,8-10,12-13,19H,4,6-7,11H2,1H3,(H,20,21,22)
InChIKeyOPWZFHSCRFUQQP-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.44
Rot. Bonds6

About N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide

N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 113027369) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
PubChem CID113027369
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)C2CCC2)nc1
InChIInChI=1S/C18H21N3O2/c1-23-16-8-3-2-5-14(16)11-19-15-9-10-17(20-12-15)21-18(22)13-6-4-7-13/h2-3,5,8-10,12-13,19H,4,6-7,11H2,1H3,(H,20,21,22)
InChIKeyOPWZFHSCRFUQQP-UHFFFAOYSA-N
XLogP3.44
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113026538
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027038
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]cyclohexanecarboxamide
CID 113041668
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169
ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027367
N-[5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113028985
2-(4-fluorophenyl)-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027342
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113012244
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113027345
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113036526
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]furan-2-carboxamide
CID 113027322
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113012346

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide (CID 113027369) is N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide is COc1ccccc1CNc1ccc(NC(=O)C2CCC2)nc1.
What is the InChIKey of N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is OPWZFHSCRFUQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-16-8-3-2-5-14(16)11-19-15-9-10-17(20-12-15)21-18(22)13-6-4-7-13/h2-3,5,8-10,12-13,19H,4,6-7,11H2,1H3,(H,20,21,22).
What are the key properties of N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide?
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113027369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).