(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide

C21H24N2O — CID 99970498

IUPAC(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide
SMILESO=C(NCCc1ccncc1)[C@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C21H24N2O/c24-19(23-15-10-17-8-13-22-14-9-17)21(18-6-2-1-3-7-18)16-20(21)11-4-5-12-20/h1-3,6-9,13-14H,4-5,10-12,15-16H2,(H,23,24)/t21-/m1/s1
InChIKeyBPRWIZQQZNBZSI-OAQYLSRUSA-N
MW320.44 g/mol
LogP3.64
Rot. Bonds5

About (2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide

(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide (PubChem CID 99970498) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide
PubChem CID99970498
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide
SMILESO=C(NCCc1ccncc1)[C@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C21H24N2O/c24-19(23-15-10-17-8-13-22-14-9-17)21(18-6-2-1-3-7-18)16-20(21)11-4-5-12-20/h1-3,6-9,13-14H,4-5,10-12,15-16H2,(H,23,24)/t21-/m1/s1
InChIKeyBPRWIZQQZNBZSI-OAQYLSRUSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide
CID 126443610
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 86286558
2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 2832401
2-phenyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]spiro[2.4]heptane-2-carboxamide
CID 119066000
(2R)-N-[3-(2-ethylimidazol-1-yl)propyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126431492
(2R)-2-phenyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]spiro[2.4]heptane-2-carboxamide
CID 126433749
(2R)-N-[1-(hydroxymethyl)cyclopentyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126423700
(2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126423833
(1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 99972742
4-methyl-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 55177553
N-(2-methoxyethyl)-2-phenyl-N-(pyridin-4-ylmethyl)spiro[2.4]heptane-2-carboxamide
CID 119071518
3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide
CID 115185753

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide (CID 99970498) is (2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide is O=C(NCCc1ccncc1)[C@]1(c2ccccc2)CC12CCCC2.
What is the InChIKey of (2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide?
The InChIKey is BPRWIZQQZNBZSI-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24N2O/c24-19(23-15-10-17-8-13-22-14-9-17)21(18-6-2-1-3-7-18)16-20(21)11-4-5-12-20/h1-3,6-9,13-14H,4-5,10-12,15-16H2,(H,23,24)/t21-/m1/s1.
What are the key properties of (2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide?
(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 99970498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).