4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

C20H27N7O3S — CID 118371240

IUPAC4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCCS(=O)(=O)N1CCN(c2ccc(Nc3cc(NC4CC4)c(C(N)=O)cn3)nc2)CC1
InChIInChI=1S/C20H27N7O3S/c1-2-31(29,30)27-9-7-26(8-10-27)15-5-6-18(22-12-15)25-19-11-17(24-14-3-4-14)16(13-23-19)20(21)28/h5-6,11-14H,2-4,7-10H2,1H3,(H2,21,28)(H2,22,23,24,25)
InChIKeyRJYDUTZPZDHHRO-UHFFFAOYSA-N
MW445.55 g/mol
LogP1.37
Rot. Bonds8

About 4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 118371240) has the molecular formula C20H27N7O3S and a molecular weight of 445.55 g/mol. Its IUPAC name is 4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID118371240
Molecular FormulaC20H27N7O3S
Molecular Weight445.55 g/mol
Exact Mass445.19
IUPAC Name4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCCS(=O)(=O)N1CCN(c2ccc(Nc3cc(NC4CC4)c(C(N)=O)cn3)nc2)CC1
InChIInChI=1S/C20H27N7O3S/c1-2-31(29,30)27-9-7-26(8-10-27)15-5-6-18(22-12-15)25-19-11-17(24-14-3-4-14)16(13-23-19)20(21)28/h5-6,11-14H,2-4,7-10H2,1H3,(H2,21,28)(H2,22,23,24,25)
InChIKeyRJYDUTZPZDHHRO-UHFFFAOYSA-N
XLogP1.37
TPSA133.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[5-(4-cyclopropylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-ethoxyanilino)pyridine-3-carboxamide
CID 175501345
6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(2-propylanilino)pyridine-3-carboxamide
CID 175501407
4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501403
4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501424
6-[[(1R,3R)-2-bicyclo[1.1.0]butanyl]amino]-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyridine-3-carboxamide
CID 164518109
4-(2,3-dimethoxyanilino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501362
4-(1-benzofuran-7-ylamino)-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501423
4-(cyclopentylamino)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide
CID 171406883
4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide
CID 46208478
4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501379
4-(cyclobutylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014823
4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride
CID 67371252

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 118371240) is 4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is CCS(=O)(=O)N1CCN(c2ccc(Nc3cc(NC4CC4)c(C(N)=O)cn3)nc2)CC1.
What is the InChIKey of 4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is RJYDUTZPZDHHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-9-7-26(8-10-27)15-5-6-18(22-12-15)25-19-11-17(24-14-3-4-14)16(13-23-19)20(21)28/h5-6,11-14H,2-4,7-10H2,1H3,(H2,21,28)(H2,22,23,24,25).
What are the key properties of 4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?
4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 445.55 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-6-[[5-(4-ethylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118371240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).