N-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide

C26H32N6O2 — CID 38031244

IUPACN-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(NC[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cccnc4)o3)C[C@H]2C(C)C)cn1
InChIInChI=1S/C26H32N6O2/c1-16(2)23-11-20(12-25-31-32-26(34-25)19-6-5-9-27-13-19)17(3)10-21(23)14-28-22-7-8-24(29-15-22)30-18(4)33/h5-10,13,15-16,20-21,23,28H,11-12,14H2,1-4H3,(H,29,30,33)/t20-,21-,23-/m0/s1
InChIKeyNQJSLJSQVFBDAG-FUDKSRODSA-N
MW460.58 g/mol
LogP4.99
Rot. Bonds8

About N-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide

N-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide (PubChem CID 38031244) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide
PubChem CID38031244
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC NameN-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(NC[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cccnc4)o3)C[C@H]2C(C)C)cn1
InChIInChI=1S/C26H32N6O2/c1-16(2)23-11-20(12-25-31-32-26(34-25)19-6-5-9-27-13-19)17(3)10-21(23)14-28-22-7-8-24(29-15-22)30-18(4)33/h5-10,13,15-16,20-21,23,28H,11-12,14H2,1-4H3,(H,29,30,33)/t20-,21-,23-/m0/s1
InChIKeyNQJSLJSQVFBDAG-FUDKSRODSA-N
XLogP4.99
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide (CID 38031244) is N-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(NC[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cccnc4)o3)C[C@H]2C(C)C)cn1.
What is the InChIKey of N-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide?
The InChIKey is NQJSLJSQVFBDAG-FUDKSRODSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-16(2)23-11-20(12-25-31-32-26(34-25)19-6-5-9-27-13-19)17(3)10-21(23)14-28-22-7-8-24(29-15-22)30-18(4)33/h5-10,13,15-16,20-21,23,28H,11-12,14H2,1-4H3,(H,29,30,33)/t20-,21-,23-/m0/s1.
What are the key properties of N-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide?
N-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide has a molecular weight of 460.58 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide is sourced from PubChem (CID 38031244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).