2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide

C26H30N6O2S — CID 112827563

IUPAC2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cn1)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cn2)s1
InChIInChI=1S/C26H30N6O2S/c33-25(29-23-11-7-19(17-27-23)31-13-3-1-4-14-31)21-9-10-22(35-21)26(34)30-24-12-8-20(18-28-24)32-15-5-2-6-16-32/h7-12,17-18H,1-6,13-16H2,(H,27,29,33)(H,28,30,34)
InChIKeyGYYMPYKWKSZWEJ-UHFFFAOYSA-N
MW490.63 g/mol
LogP5.02
Rot. Bonds6

About 2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide

2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide (PubChem CID 112827563) has the molecular formula C26H30N6O2S and a molecular weight of 490.63 g/mol. Its IUPAC name is 2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide
PubChem CID112827563
Molecular FormulaC26H30N6O2S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Name2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cn1)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cn2)s1
InChIInChI=1S/C26H30N6O2S/c33-25(29-23-11-7-19(17-27-23)31-13-3-1-4-14-31)21-9-10-22(35-21)26(34)30-24-12-8-20(18-28-24)32-15-5-2-6-16-32/h7-12,17-18H,1-6,13-16H2,(H,27,29,33)(H,28,30,34)
InChIKeyGYYMPYKWKSZWEJ-UHFFFAOYSA-N
XLogP5.02
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
N-(5-pyrrolidin-1-yl-2-pyridinyl)thiophene-3-carboxamide
CID 32949158
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
6-pyrrolidin-1-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-3-carboxamide
CID 154735988
N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
1-amino-N-(5-piperidin-1-yl-2-pyridinyl)cyclohexane-1-carboxamide
CID 119855685
3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 32948486
2-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)butanamide
CID 113024566
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 113028800
2,3-dimethyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indole-5-carboxamide
CID 78878202

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide (CID 112827563) is 2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide is O=C(Nc1ccc(N2CCCCC2)cn1)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cn2)s1.
What is the InChIKey of 2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide?
The InChIKey is GYYMPYKWKSZWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2S/c33-25(29-23-11-7-19(17-27-23)31-13-3-1-4-14-31)21-9-10-22(35-21)26(34)30-24-12-8-20(18-28-24)32-15-5-2-6-16-32/h7-12,17-18H,1-6,13-16H2,(H,27,29,33)(H,28,30,34).
What are the key properties of 2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide?
2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide has a molecular weight of 490.63 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 112827563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).