2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide

C24H23ClN8OS — CID 70815918

IUPAC2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide
SMILESCN1CCN(c2nc(Nc3cc(C(=O)Nc4ccccc4)ccn3)nc(-c3ccc(Cl)s3)n2)CC1
InChIInChI=1S/C24H23ClN8OS/c1-32-11-13-33(14-12-32)24-30-21(18-7-8-19(25)35-18)29-23(31-24)28-20-15-16(9-10-26-20)22(34)27-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,27,34)(H,26,28,29,30,31)
InChIKeyHWHFFBTYRGZYLR-UHFFFAOYSA-N
MW507.02 g/mol
LogP4.40
Rot. Bonds6

About 2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide

2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide (PubChem CID 70815918) has the molecular formula C24H23ClN8OS and a molecular weight of 507.02 g/mol. Its IUPAC name is 2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide
PubChem CID70815918
Molecular FormulaC24H23ClN8OS
Molecular Weight507.02 g/mol
Exact Mass506.14
IUPAC Name2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide
SMILESCN1CCN(c2nc(Nc3cc(C(=O)Nc4ccccc4)ccn3)nc(-c3ccc(Cl)s3)n2)CC1
InChIInChI=1S/C24H23ClN8OS/c1-32-11-13-33(14-12-32)24-30-21(18-7-8-19(25)35-18)29-23(31-24)28-20-15-16(9-10-26-20)22(34)27-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,27,34)(H,26,28,29,30,31)
InChIKeyHWHFFBTYRGZYLR-UHFFFAOYSA-N
XLogP4.40
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.02
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide with MolForge

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Related Compounds

2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 70815864
1-[2-[[4-(2,6-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-phenylethanone
CID 162132037
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
1-[2-[[4-(3-chloro-4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-4-pyridinyl]-2-phenylethanone
CID 160886652
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyridine-4-carboxamide
CID 70816172
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide
CID 88995125
N-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]amino]phenyl]benzamide
CID 88588919
6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide
CID 70816129
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide
CID 70815466
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)pyridine-4-carboxamide
CID 91359760
N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]benzamide
CID 88588989
2-[[(2Z)-2-ethylidene-5-methyl-8-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6,7-dihydro-5H-1,3-diazocin-4-yl]amino]-N-phenylpyridine-4-carboxamide
CID 90721366

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide (CID 70815918) is 2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide is CN1CCN(c2nc(Nc3cc(C(=O)Nc4ccccc4)ccn3)nc(-c3ccc(Cl)s3)n2)CC1.
What is the InChIKey of 2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide?
The InChIKey is HWHFFBTYRGZYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN8OS/c1-32-11-13-33(14-12-32)24-30-21(18-7-8-19(25)35-18)29-23(31-24)28-20-15-16(9-10-26-20)22(34)27-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,27,34)(H,26,28,29,30,31).
What are the key properties of 2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide?
2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide has a molecular weight of 507.02 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chlorothiophen-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 70815918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).