N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide

C23H25F2N7O2S — CID 22019170

IUPACN-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide
SMILESCN(CCN)C(=O)c1ccc(Nc2ncc(CNc3cc(C(=O)NC4CC4)c(F)cc3F)s2)nc1
InChIInChI=1S/C23H25F2N7O2S/c1-32(7-6-26)22(34)13-2-5-20(28-10-13)31-23-29-12-15(35-23)11-27-19-8-16(17(24)9-18(19)25)21(33)30-14-3-4-14/h2,5,8-10,12,14,27H,3-4,6-7,11,26H2,1H3,(H,30,33)(H,28,29,31)
InChIKeyFZGITGYQOVSEQI-UHFFFAOYSA-N
MW501.56 g/mol
LogP3.09
Rot. Bonds10

About N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide

N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 22019170) has the molecular formula C23H25F2N7O2S and a molecular weight of 501.56 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide
PubChem CID22019170
Molecular FormulaC23H25F2N7O2S
Molecular Weight501.56 g/mol
Exact Mass501.18
IUPAC NameN-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide
SMILESCN(CCN)C(=O)c1ccc(Nc2ncc(CNc3cc(C(=O)NC4CC4)c(F)cc3F)s2)nc1
InChIInChI=1S/C23H25F2N7O2S/c1-32(7-6-26)22(34)13-2-5-20(28-10-13)31-23-29-12-15(35-23)11-27-19-8-16(17(24)9-18(19)25)21(33)30-14-3-4-14/h2,5,8-10,12,14,27H,3-4,6-7,11,26H2,1H3,(H,30,33)(H,28,29,31)
InChIKeyFZGITGYQOVSEQI-UHFFFAOYSA-N
XLogP3.09
TPSA125.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide with MolForge

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Related Compounds

6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 22019165
3-[[2-[(6-bromo-2-pyridinyl)amino]-1,3-thiazol-5-yl]methylamino]-N-cyclopropyl-4-fluorobenzamide
CID 22019144
N-[3-(dimethylamino)propyl]-4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
CID 22019095
4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 87446079
4-fluoro-N-(morpholin-4-ylmethyl)-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzamide
CID 11676598
4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 22019132
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide
CID 168579845
methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate
CID 167979420
N-cyclobutyl-6-(ethylamino)pyridine-3-carboxamide
CID 62415039
6-(ethylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 62173346
6-(ethylamino)-N-methyl-N-propylpyridine-3-carboxamide
CID 62167941
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide (CID 22019170) is N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide is CN(CCN)C(=O)c1ccc(Nc2ncc(CNc3cc(C(=O)NC4CC4)c(F)cc3F)s2)nc1.
What is the InChIKey of N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide?
The InChIKey is FZGITGYQOVSEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O2S/c1-32(7-6-26)22(34)13-2-5-20(28-10-13)31-23-29-12-15(35-23)11-27-19-8-16(17(24)9-18(19)25)21(33)30-14-3-4-14/h2,5,8-10,12,14,27H,3-4,6-7,11,26H2,1H3,(H,30,33)(H,28,29,31).
What are the key properties of N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide?
N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 3.09, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 22019170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).