3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide

C26H45N3O4 — CID 51359348

IUPAC3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
SMILESCOCCCN1C(=O)C(CC(=O)NCC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C
InChIInChI=1S/C26H45N3O4/c1-18(2)29(19(3)4)26(32)23-15-22(25(31)28(20(23)5)13-10-14-33-6)16-24(30)27-17-21-11-8-7-9-12-21/h18-19,21-22H,7-17H2,1-6H3,(H,27,30)
InChIKeyWNMFLYRYGFQESZ-UHFFFAOYSA-N
MW463.66 g/mol
LogP3.88
Rot. Bonds11

About 3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide

3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide (PubChem CID 51359348) has the molecular formula C26H45N3O4 and a molecular weight of 463.66 g/mol. Its IUPAC name is 3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
PubChem CID51359348
Molecular FormulaC26H45N3O4
Molecular Weight463.66 g/mol
Exact Mass463.34
IUPAC Name3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
SMILESCOCCCN1C(=O)C(CC(=O)NCC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C
InChIInChI=1S/C26H45N3O4/c1-18(2)29(19(3)4)26(32)23-15-22(25(31)28(20(23)5)13-10-14-33-6)16-24(30)27-17-21-11-8-7-9-12-21/h18-19,21-22H,7-17H2,1-6H3,(H,27,30)
InChIKeyWNMFLYRYGFQESZ-UHFFFAOYSA-N
XLogP3.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.66
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide (CID 51359348) is 3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is COCCCN1C(=O)C(CC(=O)NCC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C.
What is the InChIKey of 3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
The InChIKey is WNMFLYRYGFQESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N3O4/c1-18(2)29(19(3)4)26(32)23-15-22(25(31)28(20(23)5)13-10-14-33-6)16-24(30)27-17-21-11-8-7-9-12-21/h18-19,21-22H,7-17H2,1-6H3,(H,27,30).
What are the key properties of 3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide has a molecular weight of 463.66 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 51359348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).