N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide

C25H23N5O2S — CID 71681890

IUPACN-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2ncc(-c3ccc(N)cc3)s2)Cc2ccccc2)cn1
InChIInChI=1S/C25H23N5O2S/c1-17-7-8-20(13-27-17)24(32)30(15-18-5-3-2-4-6-18)16-23(31)29-25-28-14-22(33-25)19-9-11-21(26)12-10-19/h2-14H,15-16,26H2,1H3,(H,28,29,31)
InChIKeyMZTTVVHNFDPGBY-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.38
Rot. Bonds7

About N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide

N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide (PubChem CID 71681890) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide
PubChem CID71681890
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC NameN-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CC(=O)Nc2ncc(-c3ccc(N)cc3)s2)Cc2ccccc2)cn1
InChIInChI=1S/C25H23N5O2S/c1-17-7-8-20(13-27-17)24(32)30(15-18-5-3-2-4-6-18)16-23(31)29-25-28-14-22(33-25)19-9-11-21(26)12-10-19/h2-14H,15-16,26H2,1H3,(H,28,29,31)
InChIKeyMZTTVVHNFDPGBY-UHFFFAOYSA-N
XLogP4.38
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide (CID 71681890) is N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N(CC(=O)Nc2ncc(-c3ccc(N)cc3)s2)Cc2ccccc2)cn1.
What is the InChIKey of N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide?
The InChIKey is MZTTVVHNFDPGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-17-7-8-20(13-27-17)24(32)30(15-18-5-3-2-4-6-18)16-23(31)29-25-28-14-22(33-25)19-9-11-21(26)12-10-19/h2-14H,15-16,26H2,1H3,(H,28,29,31).
What are the key properties of N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide?
N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-aminophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzyl-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 71681890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).