6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide

C21H23N5O2S — CID 67502648

IUPAC6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1NCc1nccs1
InChIInChI=1S/C21H23N5O2S/c22-21(27)17-12-25-19(11-18(17)24-13-20-23-7-10-29-20)26-16-3-1-14(2-4-16)15-5-8-28-9-6-15/h1-4,7,10-12,15H,5-6,8-9,13H2,(H2,22,27)(H2,24,25,26)
InChIKeyMRZMTNBUSBYZHE-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.89
Rot. Bonds7

About 6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide

6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 67502648) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID67502648
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1NCc1nccs1
InChIInChI=1S/C21H23N5O2S/c22-21(27)17-12-25-19(11-18(17)24-13-20-23-7-10-29-20)26-16-3-1-14(2-4-16)15-5-8-28-9-6-15/h1-4,7,10-12,15H,5-6,8-9,13H2,(H2,22,27)(H2,24,25,26)
InChIKeyMRZMTNBUSBYZHE-UHFFFAOYSA-N
XLogP3.89
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide (CID 67502648) is 6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1NCc1nccs1.
What is the InChIKey of 6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is MRZMTNBUSBYZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c22-21(27)17-12-25-19(11-18(17)24-13-20-23-7-10-29-20)26-16-3-1-14(2-4-16)15-5-8-28-9-6-15/h1-4,7,10-12,15H,5-6,8-9,13H2,(H2,22,27)(H2,24,25,26).
What are the key properties of 6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide?
6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67502648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).