N-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide

C17H24N6O — CID 58293271

IUPACN-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide
SMILESCCNC(=O)N1CCCC12CCCN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C17H24N6O/c1-2-18-16(24)23-10-4-7-17(23)6-3-9-22(11-17)15-13-5-8-19-14(13)20-12-21-15/h5,8,12H,2-4,6-7,9-11H2,1H3,(H,18,24)(H,19,20,21)
InChIKeyOSLXDTSEKCUZTF-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.12
Rot. Bonds2

About N-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide

N-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide (PubChem CID 58293271) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide
PubChem CID58293271
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide
SMILESCCNC(=O)N1CCCC12CCCN(c1ncnc3[nH]ccc13)C2
InChIInChI=1S/C17H24N6O/c1-2-18-16(24)23-10-4-7-17(23)6-3-9-22(11-17)15-13-5-8-19-14(13)20-12-21-15/h5,8,12H,2-4,6-7,9-11H2,1H3,(H,18,24)(H,19,20,21)
InChIKeyOSLXDTSEKCUZTF-UHFFFAOYSA-N
XLogP2.12
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide?
The IUPAC name of N-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide (CID 58293271) is N-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide.
What is the SMILES notation for N-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide?
The canonical SMILES for N-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide is CCNC(=O)N1CCCC12CCCN(c1ncnc3[nH]ccc13)C2.
What is the InChIKey of N-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide?
The InChIKey is OSLXDTSEKCUZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-2-18-16(24)23-10-4-7-17(23)6-3-9-22(11-17)15-13-5-8-19-14(13)20-12-21-15/h5,8,12H,2-4,6-7,9-11H2,1H3,(H,18,24)(H,19,20,21).
What are the key properties of N-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide?
N-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,9-diazaspiro[4.5]decane-1-carboxamide is sourced from PubChem (CID 58293271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).