(5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C17H25N5O2 — CID 3233303

IUPAC(5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C17H25N5O2/c1-13(2)20-16(24)22-9-5-17(12-22)4-3-8-21(11-17)15(23)14-10-18-6-7-19-14/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeyRRIVREXRRDSEQO-QGZVFWFLSA-N
MW331.42 g/mol
LogP1.52
Rot. Bonds2

About (5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3233303) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3233303
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C17H25N5O2/c1-13(2)20-16(24)22-9-5-17(12-22)4-3-8-21(11-17)15(23)14-10-18-6-7-19-14/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeyRRIVREXRRDSEQO-QGZVFWFLSA-N
XLogP1.52
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3233303) is (5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is CC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1.
What is the InChIKey of (5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is RRIVREXRRDSEQO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13(2)20-16(24)22-9-5-17(12-22)4-3-8-21(11-17)15(23)14-10-18-6-7-19-14/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,20,24)/t17-/m1/s1.
What are the key properties of (5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3233303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).