N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide

C18H23N3O2 — CID 166280255

IUPACN-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(CC1CC2(CC2)C1)Nc1ccc(NC(=O)C2CCC2)cn1
InChIInChI=1S/C18H23N3O2/c22-16(8-12-9-18(10-12)6-7-18)21-15-5-4-14(11-19-15)20-17(23)13-2-1-3-13/h4-5,11-13H,1-3,6-10H2,(H,20,23)(H,19,21,22)
InChIKeyJJERLBQNDCXTMU-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.34
Rot. Bonds5

About N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide

N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 166280255) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide
PubChem CID166280255
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(CC1CC2(CC2)C1)Nc1ccc(NC(=O)C2CCC2)cn1
InChIInChI=1S/C18H23N3O2/c22-16(8-12-9-18(10-12)6-7-18)21-15-5-4-14(11-19-15)20-17(23)13-2-1-3-13/h4-5,11-13H,1-3,6-10H2,(H,20,23)(H,19,21,22)
InChIKeyJJERLBQNDCXTMU-UHFFFAOYSA-N
XLogP3.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[[2-(4-methoxycyclohexyl)acetyl]amino]-3-pyridinyl]cyclobutanecarboxamide
CID 166280258
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide
CID 166280251
N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
CID 119879379
N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
CID 113024024
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113010772
N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 119879406
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113010320
2-cyclohexyl-N-[6-(methylamino)-3-pyridinyl]acetamide
CID 115274700
N-[6-(tert-butylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113014760

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide (CID 166280255) is N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide is O=C(CC1CC2(CC2)C1)Nc1ccc(NC(=O)C2CCC2)cn1.
What is the InChIKey of N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is JJERLBQNDCXTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-16(8-12-9-18(10-12)6-7-18)21-15-5-4-14(11-19-15)20-17(23)13-2-1-3-13/h4-5,11-13H,1-3,6-10H2,(H,20,23)(H,19,21,22).
What are the key properties of N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide?
N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 166280255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).