2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide

C23H30N4O — CID 97129231

IUPAC2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide
SMILESCCN1C[C@H](c2ccccc2)CC2(CCN(c3cc(C(N)=O)ccn3)CC2)C1
InChIInChI=1S/C23H30N4O/c1-2-26-16-20(18-6-4-3-5-7-18)15-23(17-26)9-12-27(13-10-23)21-14-19(22(24)28)8-11-25-21/h3-8,11,14,20H,2,9-10,12-13,15-17H2,1H3,(H2,24,28)/t20-/m1/s1
InChIKeyLTFHSQVIGDTUNA-HXUWFJFHSA-N
MW378.52 g/mol
LogP3.28
Rot. Bonds4

About 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide

2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide (PubChem CID 97129231) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide
PubChem CID97129231
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide
SMILESCCN1C[C@H](c2ccccc2)CC2(CCN(c3cc(C(N)=O)ccn3)CC2)C1
InChIInChI=1S/C23H30N4O/c1-2-26-16-20(18-6-4-3-5-7-18)15-23(17-26)9-12-27(13-10-23)21-14-19(22(24)28)8-11-25-21/h3-8,11,14,20H,2,9-10,12-13,15-17H2,1H3,(H2,24,28)/t20-/m1/s1
InChIKeyLTFHSQVIGDTUNA-HXUWFJFHSA-N
XLogP3.28
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide (CID 97129231) is 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide is CCN1C[C@H](c2ccccc2)CC2(CCN(c3cc(C(N)=O)ccn3)CC2)C1.
What is the InChIKey of 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide?
The InChIKey is LTFHSQVIGDTUNA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-26-16-20(18-6-4-3-5-7-18)15-23(17-26)9-12-27(13-10-23)21-14-19(22(24)28)8-11-25-21/h3-8,11,14,20H,2,9-10,12-13,15-17H2,1H3,(H2,24,28)/t20-/m1/s1.
What are the key properties of 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide?
2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97129231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).