N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C17H22N6OS — CID 120998349

IUPACN-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ncc(C2CCNCC2)s1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C17H22N6OS/c24-16(13-3-4-15(22-21-13)23-9-1-2-10-23)20-17-19-11-14(25-17)12-5-7-18-8-6-12/h3-4,11-12,18H,1-2,5-10H2,(H,19,20,24)
InChIKeyUYGJFAZNRRQPTN-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.25
Rot. Bonds4

About N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 120998349) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID120998349
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC NameN-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ncc(C2CCNCC2)s1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C17H22N6OS/c24-16(13-3-4-15(22-21-13)23-9-1-2-10-23)20-17-19-11-14(25-17)12-5-7-18-8-6-12/h3-4,11-12,18H,1-2,5-10H2,(H,19,20,24)
InChIKeyUYGJFAZNRRQPTN-UHFFFAOYSA-N
XLogP2.25
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 120998297
2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 120998258
5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 120998124
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 120998447
N-[2-oxo-2-[(5-piperidin-4-yl-1,3-thiazol-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 120998369
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 51108343
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027863
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 127277358
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 122264045
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 120998625

Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 120998349) is N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(Nc1ncc(C2CCNCC2)s1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is UYGJFAZNRRQPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c24-16(13-3-4-15(22-21-13)23-9-1-2-10-23)20-17-19-11-14(25-17)12-5-7-18-8-6-12/h3-4,11-12,18H,1-2,5-10H2,(H,19,20,24).
What are the key properties of N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 120998349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).