5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide

C26H40N4O2S — CID 86763362

IUPAC5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1csc(N(CC)C2CCC(N(C)C)CC2)c1C
InChIInChI=1S/C26H40N4O2S/c1-7-9-19-14-17(3)28-25(32)22(19)15-27-24(31)23-16-33-26(18(23)4)30(8-2)21-12-10-20(11-13-21)29(5)6/h14,16,20-21H,7-13,15H2,1-6H3,(H,27,31)(H,28,32)
InChIKeyKCXYXNRPRRXYDO-UHFFFAOYSA-N
MW472.70 g/mol
LogP4.63
Rot. Bonds9

About 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide

5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 86763362) has the molecular formula C26H40N4O2S and a molecular weight of 472.70 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide
PubChem CID86763362
Molecular FormulaC26H40N4O2S
Molecular Weight472.70 g/mol
Exact Mass472.29
IUPAC Name5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1csc(N(CC)C2CCC(N(C)C)CC2)c1C
InChIInChI=1S/C26H40N4O2S/c1-7-9-19-14-17(3)28-25(32)22(19)15-27-24(31)23-16-33-26(18(23)4)30(8-2)21-12-10-20(11-13-21)29(5)6/h14,16,20-21H,7-13,15H2,1-6H3,(H,27,31)(H,28,32)
InChIKeyKCXYXNRPRRXYDO-UHFFFAOYSA-N
XLogP4.63
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.70
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide (CID 86763362) is 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1csc(N(CC)C2CCC(N(C)C)CC2)c1C.
What is the InChIKey of 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide?
The InChIKey is KCXYXNRPRRXYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O2S/c1-7-9-19-14-17(3)28-25(32)22(19)15-27-24(31)23-16-33-26(18(23)4)30(8-2)21-12-10-20(11-13-21)29(5)6/h14,16,20-21H,7-13,15H2,1-6H3,(H,27,31)(H,28,32).
What are the key properties of 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide?
5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 472.70 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 86763362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).