4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide

C20H23N5OS — CID 135368620

IUPAC4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccccn2)n(Cc2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C20H23N5OS/c1-15-11-17(19(26)23-18-7-3-4-8-21-18)25(12-15)13-16-14-27-20(22-16)24-9-5-2-6-10-24/h3-4,7-8,11-12,14H,2,5-6,9-10,13H2,1H3,(H,21,23,26)
InChIKeyPCEFAMIPGHZVFD-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.94
Rot. Bonds5

About 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide

4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide (PubChem CID 135368620) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide
PubChem CID135368620
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccccn2)n(Cc2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C20H23N5OS/c1-15-11-17(19(26)23-18-7-3-4-8-21-18)25(12-15)13-16-14-27-20(22-16)24-9-5-2-6-10-24/h3-4,7-8,11-12,14H,2,5-6,9-10,13H2,1H3,(H,21,23,26)
InChIKeyPCEFAMIPGHZVFD-UHFFFAOYSA-N
XLogP3.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide (CID 135368620) is 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide is Cc1cc(C(=O)Nc2ccccn2)n(Cc2csc(N3CCCCC3)n2)c1.
What is the InChIKey of 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide?
The InChIKey is PCEFAMIPGHZVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-15-11-17(19(26)23-18-7-3-4-8-21-18)25(12-15)13-16-14-27-20(22-16)24-9-5-2-6-10-24/h3-4,7-8,11-12,14H,2,5-6,9-10,13H2,1H3,(H,21,23,26).
What are the key properties of 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide?
4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-pyridin-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 135368620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).