N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide

C26H32N4O2S — CID 143670009

IUPACN-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(N)nc2)cc1CN(C(=O)c1cccs1)C1CCC(NC)CC1
InChIInChI=1S/C26H32N4O2S/c1-3-32-23-12-6-18(19-7-13-25(27)29-16-19)15-20(23)17-30(26(31)24-5-4-14-33-24)22-10-8-21(28-2)9-11-22/h4-7,12-16,21-22,28H,3,8-11,17H2,1-2H3,(H2,27,29)
InChIKeyYLOYMQDHQLNSKJ-UHFFFAOYSA-N
MW464.64 g/mol
LogP4.96
Rot. Bonds8

About N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide

N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide (PubChem CID 143670009) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
PubChem CID143670009
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC NameN-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(N)nc2)cc1CN(C(=O)c1cccs1)C1CCC(NC)CC1
InChIInChI=1S/C26H32N4O2S/c1-3-32-23-12-6-18(19-7-13-25(27)29-16-19)15-20(23)17-30(26(31)24-5-4-14-33-24)22-10-8-21(28-2)9-11-22/h4-7,12-16,21-22,28H,3,8-11,17H2,1-2H3,(H2,27,29)
InChIKeyYLOYMQDHQLNSKJ-UHFFFAOYSA-N
XLogP4.96
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide (CID 143670009) is N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide is CCOc1ccc(-c2ccc(N)nc2)cc1CN(C(=O)c1cccs1)C1CCC(NC)CC1.
What is the InChIKey of N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is YLOYMQDHQLNSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-3-32-23-12-6-18(19-7-13-25(27)29-16-19)15-20(23)17-30(26(31)24-5-4-14-33-24)22-10-8-21(28-2)9-11-22/h4-7,12-16,21-22,28H,3,8-11,17H2,1-2H3,(H2,27,29).
What are the key properties of N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide?
N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 464.64 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 143670009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).