N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide

C22H22N6O2S — CID 150140683

IUPACN-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C22H22N6O2S/c1-30-22-18(3-2-6-24-22)21(29)26-19-11-16(12-23)4-5-20(19)28-9-7-27(8-10-28)13-17-14-31-15-25-17/h2-6,11,14-15H,7-10,13H2,1H3,(H,26,29)
InChIKeyFDFHYXFVAZAZSF-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.99
Rot. Bonds6

About N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide

N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 150140683) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
PubChem CID150140683
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC NameN-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C22H22N6O2S/c1-30-22-18(3-2-6-24-22)21(29)26-19-11-16(12-23)4-5-20(19)28-9-7-27(8-10-28)13-17-14-31-15-25-17/h2-6,11,14-15H,7-10,13H2,1H3,(H,26,29)
InChIKeyFDFHYXFVAZAZSF-UHFFFAOYSA-N
XLogP2.99
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide (CID 150140683) is N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cc(C#N)ccc1N1CCN(Cc2cscn2)CC1.
What is the InChIKey of N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is FDFHYXFVAZAZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-30-22-18(3-2-6-24-22)21(29)26-19-11-16(12-23)4-5-20(19)28-9-7-27(8-10-28)13-17-14-31-15-25-17/h2-6,11,14-15H,7-10,13H2,1H3,(H,26,29).
What are the key properties of N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide?
N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 150140683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).