4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide

C18H17N5O4 — CID 118714291

IUPAC4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)Nc1ccccn1
InChIInChI=1S/C18H17N5O4/c1-26-12-6-5-7-13(27-2)15(12)17(24)21-11-10-20-23-16(11)18(25)22-14-8-3-4-9-19-14/h3-10H,1-2H3,(H,20,23)(H,21,24)(H,19,22,25)
InChIKeyWCVCWAQJIQBEBG-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.33
Rot. Bonds6

About 4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide

4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 118714291) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is 4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID118714291
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC Name4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)Nc1ccccn1
InChIInChI=1S/C18H17N5O4/c1-26-12-6-5-7-13(27-2)15(12)17(24)21-11-10-20-23-16(11)18(25)22-14-8-3-4-9-19-14/h3-10H,1-2H3,(H,20,23)(H,21,24)(H,19,22,25)
InChIKeyWCVCWAQJIQBEBG-UHFFFAOYSA-N
XLogP2.33
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 118714291) is 4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide is COc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)Nc1ccccn1.
What is the InChIKey of 4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is WCVCWAQJIQBEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-26-12-6-5-7-13(27-2)15(12)17(24)21-11-10-20-23-16(11)18(25)22-14-8-3-4-9-19-14/h3-10H,1-2H3,(H,20,23)(H,21,24)(H,19,22,25).
What are the key properties of 4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide?
4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethoxybenzoyl)amino]-N-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).