4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide

C19H15N5O2S — CID 75392520

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1nc(-c2c[nH]c(C(=O)Nc3ccc(Oc4cccnc4)nc3)c2)cs1
InChIInChI=1S/C19H15N5O2S/c1-12-23-17(11-27-12)13-7-16(21-8-13)19(25)24-14-4-5-18(22-9-14)26-15-3-2-6-20-10-15/h2-11,21H,1H3,(H,24,25)
InChIKeyYREYYCISQJMWKN-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.28
Rot. Bonds5

About 4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide

4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 75392520) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide
PubChem CID75392520
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1nc(-c2c[nH]c(C(=O)Nc3ccc(Oc4cccnc4)nc3)c2)cs1
InChIInChI=1S/C19H15N5O2S/c1-12-23-17(11-27-12)13-7-16(21-8-13)19(25)24-14-4-5-18(22-9-14)26-15-3-2-6-20-10-15/h2-11,21H,1H3,(H,24,25)
InChIKeyYREYYCISQJMWKN-UHFFFAOYSA-N
XLogP4.28
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide (CID 75392520) is 4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide is Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(Oc4cccnc4)nc3)c2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide?
The InChIKey is YREYYCISQJMWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c1-12-23-17(11-27-12)13-7-16(21-8-13)19(25)24-14-4-5-18(22-9-14)26-15-3-2-6-20-10-15/h2-11,21H,1H3,(H,24,25).
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide?
4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-N-(6-pyridin-3-yloxy-3-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 75392520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).