6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C23H23N5O2S — CID 155569007

IUPAC6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESNC(CCc1ccccc1)c1csc(Nc2ccc(C(=O)NCc3ccco3)cn2)n1
InChIInChI=1S/C23H23N5O2S/c24-19(10-8-16-5-2-1-3-6-16)20-15-31-23(27-20)28-21-11-9-17(13-25-21)22(29)26-14-18-7-4-12-30-18/h1-7,9,11-13,15,19H,8,10,14,24H2,(H,26,29)(H,25,27,28)
InChIKeyHFEBJROCQPJPDC-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.44
Rot. Bonds9

About 6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide

6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 155569007) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID155569007
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESNC(CCc1ccccc1)c1csc(Nc2ccc(C(=O)NCc3ccco3)cn2)n1
InChIInChI=1S/C23H23N5O2S/c24-19(10-8-16-5-2-1-3-6-16)20-15-31-23(27-20)28-21-11-9-17(13-25-21)22(29)26-14-18-7-4-12-30-18/h1-7,9,11-13,15,19H,8,10,14,24H2,(H,26,29)(H,25,27,28)
InChIKeyHFEBJROCQPJPDC-UHFFFAOYSA-N
XLogP4.44
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 155569007) is 6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide is NC(CCc1ccccc1)c1csc(Nc2ccc(C(=O)NCc3ccco3)cn2)n1.
What is the InChIKey of 6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is HFEBJROCQPJPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c24-19(10-8-16-5-2-1-3-6-16)20-15-31-23(27-20)28-21-11-9-17(13-25-21)22(29)26-14-18-7-4-12-30-18/h1-7,9,11-13,15,19H,8,10,14,24H2,(H,26,29)(H,25,27,28).
What are the key properties of 6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 4.44, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 155569007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).