N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide

C21H30N2O — CID 166220680

IUPACN-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide
SMILESO=C(NC(Cc1ccncc1)CC1CCCC1)C1CC12CCCC2
InChIInChI=1S/C21H30N2O/c24-20(19-15-21(19)9-3-4-10-21)23-18(13-16-5-1-2-6-16)14-17-7-11-22-12-8-17/h7-8,11-12,16,18-19H,1-6,9-10,13-15H2,(H,23,24)
InChIKeyHLKBCGZWRXKTBW-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.27
Rot. Bonds6

About N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide

N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide (PubChem CID 166220680) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide
PubChem CID166220680
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide
SMILESO=C(NC(Cc1ccncc1)CC1CCCC1)C1CC12CCCC2
InChIInChI=1S/C21H30N2O/c24-20(19-15-21(19)9-3-4-10-21)23-18(13-16-5-1-2-6-16)14-17-7-11-22-12-8-17/h7-8,11-12,16,18-19H,1-6,9-10,13-15H2,(H,23,24)
InChIKeyHLKBCGZWRXKTBW-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide (CID 166220680) is N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide is O=C(NC(Cc1ccncc1)CC1CCCC1)C1CC12CCCC2.
What is the InChIKey of N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide?
The InChIKey is HLKBCGZWRXKTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c24-20(19-15-21(19)9-3-4-10-21)23-18(13-16-5-1-2-6-16)14-17-7-11-22-12-8-17/h7-8,11-12,16,18-19H,1-6,9-10,13-15H2,(H,23,24).
What are the key properties of N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide?
N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide has a molecular weight of 326.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-3-pyridin-4-ylpropan-2-yl)spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 166220680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).