N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide

C19H27N3O3 — CID 166280251

IUPACN-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(COC1CCCCCC1)Nc1ccc(NC(=O)C2CCC2)cn1
InChIInChI=1S/C19H27N3O3/c23-18(13-25-16-8-3-1-2-4-9-16)22-17-11-10-15(12-20-17)21-19(24)14-6-5-7-14/h10-12,14,16H,1-9,13H2,(H,21,24)(H,20,22,23)
InChIKeyXTOZURHQYCAKLK-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.50
Rot. Bonds6

About N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide

N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 166280251) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide
PubChem CID166280251
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(COC1CCCCCC1)Nc1ccc(NC(=O)C2CCC2)cn1
InChIInChI=1S/C19H27N3O3/c23-18(13-25-16-8-3-1-2-4-9-16)22-17-11-10-15(12-20-17)21-19(24)14-6-5-7-14/h10-12,14,16H,1-9,13H2,(H,21,24)(H,20,22,23)
InChIKeyXTOZURHQYCAKLK-UHFFFAOYSA-N
XLogP3.50
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide 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

N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113010320
N-[6-[[2-(4-methoxycyclohexyl)acetyl]amino]-3-pyridinyl]cyclobutanecarboxamide
CID 166280258
2-cyclopentyloxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)acetamide
CID 71939990
N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113015064
N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide
CID 166280255
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide
CID 113012101
N-[6-(tert-butylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113014760
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113027864
N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113018586
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide (CID 166280251) is N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide is O=C(COC1CCCCCC1)Nc1ccc(NC(=O)C2CCC2)cn1.
What is the InChIKey of N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is XTOZURHQYCAKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(13-25-16-8-3-1-2-4-9-16)22-17-11-10-15(12-20-17)21-19(24)14-6-5-7-14/h10-12,14,16H,1-9,13H2,(H,21,24)(H,20,22,23).
What are the key properties of N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide?
N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 166280251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).