N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride

C25H31Cl2N3O2S — CID 143670287

IUPACN-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride
SMILESCNC1CCC(N(Cc2cc(-c3ccccn3)ccc2OC)C(=O)c2cccs2)CC1.Cl.Cl
InChIInChI=1S/C25H29N3O2S.2ClH/c1-26-20-9-11-21(12-10-20)28(25(29)24-7-5-15-31-24)17-19-16-18(8-13-23(19)30-2)22-6-3-4-14-27-22;;/h3-8,13-16,20-21,26H,9-12,17H2,1-2H3;2*1H
InChIKeyBSIWIWLOINEVNE-UHFFFAOYSA-N
MW508.52 g/mol
LogP5.84
Rot. Bonds7

About N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride

N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride (PubChem CID 143670287) has the molecular formula C25H31Cl2N3O2S and a molecular weight of 508.52 g/mol. Its IUPAC name is N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride
PubChem CID143670287
Molecular FormulaC25H31Cl2N3O2S
Molecular Weight508.52 g/mol
Exact Mass507.15
IUPAC NameN-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride
SMILESCNC1CCC(N(Cc2cc(-c3ccccn3)ccc2OC)C(=O)c2cccs2)CC1.Cl.Cl
InChIInChI=1S/C25H29N3O2S.2ClH/c1-26-20-9-11-21(12-10-20)28(25(29)24-7-5-15-31-24)17-19-16-18(8-13-23(19)30-2)22-6-3-4-14-27-22;;/h3-8,13-16,20-21,26H,9-12,17H2,1-2H3;2*1H
InChIKeyBSIWIWLOINEVNE-UHFFFAOYSA-N
XLogP5.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.52
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-acetyl-4-pyridinyl)-2-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride
CID 143670236
N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 143670009
4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 69165157
[4-[(3-chloro-4,7-difluoro-1-benzothiophene-2-carbonyl)-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]amino]cyclohexyl]methylcarbamic acid
CID 69233550
3-chloro-N-[[2-methoxy-5-(2-methyl-4-pyridinyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 24815576
N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide
CID 42417365
1-(2-methoxy-5-pyridin-2-ylphenyl)-N-methylmethanamine
CID 63680782
N-[[5-(4-carbamoylphenyl)-2-methoxyphenyl]methyl]-3-chloro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 140524236
3-chloro-4,7-difluoro-N-[[2-methoxy-5-(2-methylsulfonylphenyl)phenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 59766917
N-[3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 33080763
3-chloro-N-[[5-(2-ethoxy-3-pyridinyl)-2-methoxyphenyl]methyl]-4-fluoro-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
CID 25026441
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]ethanamine
CID 63679441

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride (CID 143670287) is N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride is CNC1CCC(N(Cc2cc(-c3ccccn3)ccc2OC)C(=O)c2cccs2)CC1.Cl.Cl.
What is the InChIKey of N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride?
The InChIKey is BSIWIWLOINEVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S.2ClH/c1-26-20-9-11-21(12-10-20)28(25(29)24-7-5-15-31-24)17-19-16-18(8-13-23(19)30-2)22-6-3-4-14-27-22;;/h3-8,13-16,20-21,26H,9-12,17H2,1-2H3;2*1H.
What are the key properties of N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride?
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride has a molecular weight of 508.52 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride is sourced from PubChem (CID 143670287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).