2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide

C22H26N6O3 — CID 68654839

IUPAC2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(O)c(NC(=O)c2cc(-c3cn[nH]c3C3CCN(C)CC3)cnc2N)c1
InChIInChI=1S/C22H26N6O3/c1-28-7-5-13(6-8-28)20-17(12-25-27-20)14-9-16(21(23)24-11-14)22(30)26-18-10-15(31-2)3-4-19(18)29/h3-4,9-13,29H,5-8H2,1-2H3,(H2,23,24)(H,25,27)(H,26,30)
InChIKeyXJGWMWAUJQAMIQ-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.83
Rot. Bonds5

About 2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide

2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 68654839) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID68654839
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESCOc1ccc(O)c(NC(=O)c2cc(-c3cn[nH]c3C3CCN(C)CC3)cnc2N)c1
InChIInChI=1S/C22H26N6O3/c1-28-7-5-13(6-8-28)20-17(12-25-27-20)14-9-16(21(23)24-11-14)22(30)26-18-10-15(31-2)3-4-19(18)29/h3-4,9-13,29H,5-8H2,1-2H3,(H2,23,24)(H,25,27)(H,26,30)
InChIKeyXJGWMWAUJQAMIQ-UHFFFAOYSA-N
XLogP2.83
TPSA129.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carbonyl chloride
CID 87531774
3-(5-methoxy-1,3-benzoxazol-2-yl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 68654914
methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate
CID 58508582
[2-[2-amino-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-3-pyridinyl]-1,3-benzoxazol-7-yl]methanol
CID 68654823
2-hydroxy-5-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691144
[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 70785248
[4-(aminomethyl)phenyl]-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 154895013
(3-fluoro-4-pyridinyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56748447
4-(5-cyclopropyl-1H-pyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 42635126
4-[5-(1-methylpyrrolidin-3-yl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 73439374
2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol
CID 42482527
(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56752151

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide (CID 68654839) is 2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide is COc1ccc(O)c(NC(=O)c2cc(-c3cn[nH]c3C3CCN(C)CC3)cnc2N)c1.
What is the InChIKey of 2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is XJGWMWAUJQAMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-28-7-5-13(6-8-28)20-17(12-25-27-20)14-9-16(21(23)24-11-14)22(30)26-18-10-15(31-2)3-4-19(18)29/h3-4,9-13,29H,5-8H2,1-2H3,(H2,23,24)(H,25,27)(H,26,30).
What are the key properties of 2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide?
2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-5-methoxyphenyl)-5-[5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68654839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).