N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide

C26H33N7OS — CID 143233571

IUPACN-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccc(N3CCSCC3)nc2)C2CCN(Cc3ncc[nH]3)CC2)nc1
InChIInChI=1S/C26H33N7OS/c1-20-2-4-23(29-16-20)26(34)33(22-6-10-31(11-7-22)19-24-27-8-9-28-24)18-21-3-5-25(30-17-21)32-12-14-35-15-13-32/h2-5,8-9,16-17,22H,6-7,10-15,18-19H2,1H3,(H,27,28)
InChIKeyWUZREMJSSODUMK-UHFFFAOYSA-N
MW491.67 g/mol
LogP3.37
Rot. Bonds7

About N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide

N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 143233571) has the molecular formula C26H33N7OS and a molecular weight of 491.67 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID143233571
Molecular FormulaC26H33N7OS
Molecular Weight491.67 g/mol
Exact Mass491.25
IUPAC NameN-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccc(N3CCSCC3)nc2)C2CCN(Cc3ncc[nH]3)CC2)nc1
InChIInChI=1S/C26H33N7OS/c1-20-2-4-23(29-16-20)26(34)33(22-6-10-31(11-7-22)19-24-27-8-9-28-24)18-21-3-5-25(30-17-21)32-12-14-35-15-13-32/h2-5,8-9,16-17,22H,6-7,10-15,18-19H2,1H3,(H,27,28)
InChIKeyWUZREMJSSODUMK-UHFFFAOYSA-N
XLogP3.37
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.67
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 143233571) is N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide is Cc1ccc(C(=O)N(Cc2ccc(N3CCSCC3)nc2)C2CCN(Cc3ncc[nH]3)CC2)nc1.
What is the InChIKey of N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is WUZREMJSSODUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7OS/c1-20-2-4-23(29-16-20)26(34)33(22-6-10-31(11-7-22)19-24-27-8-9-28-24)18-21-3-5-25(30-17-21)32-12-14-35-15-13-32/h2-5,8-9,16-17,22H,6-7,10-15,18-19H2,1H3,(H,27,28).
What are the key properties of N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 491.67 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-methyl-N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 143233571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).