6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide

C16H22N6O5S2 — CID 89488191

IUPAC6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCC(N)CNc1cc(Nc2cc(S(C)(=O)=O)cc(S(C)(=O)=O)n2)c(C(N)=O)cn1
InChIInChI=1S/C16H22N6O5S2/c1-9(17)7-19-13-6-12(11(8-20-13)16(18)23)21-14-4-10(28(2,24)25)5-15(22-14)29(3,26)27/h4-6,8-9H,7,17H2,1-3H3,(H2,18,23)(H2,19,20,21,22)
InChIKeyRIIPMILGRZQDOF-UHFFFAOYSA-N
MW442.52 g/mol
LogP-0.11
Rot. Bonds8

About 6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide

6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 89488191) has the molecular formula C16H22N6O5S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID89488191
Molecular FormulaC16H22N6O5S2
Molecular Weight442.52 g/mol
Exact Mass442.11
IUPAC Name6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide
SMILESCC(N)CNc1cc(Nc2cc(S(C)(=O)=O)cc(S(C)(=O)=O)n2)c(C(N)=O)cn1
InChIInChI=1S/C16H22N6O5S2/c1-9(17)7-19-13-6-12(11(8-20-13)16(18)23)21-14-4-10(28(2,24)25)5-15(22-14)29(3,26)27/h4-6,8-9H,7,17H2,1-3H3,(H2,18,23)(H2,19,20,21,22)
InChIKeyRIIPMILGRZQDOF-UHFFFAOYSA-N
XLogP-0.11
TPSA187.23 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 89488191) is 6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide is CC(N)CNc1cc(Nc2cc(S(C)(=O)=O)cc(S(C)(=O)=O)n2)c(C(N)=O)cn1.
What is the InChIKey of 6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
The InChIKey is RIIPMILGRZQDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O5S2/c1-9(17)7-19-13-6-12(11(8-20-13)16(18)23)21-14-4-10(28(2,24)25)5-15(22-14)29(3,26)27/h4-6,8-9H,7,17H2,1-3H3,(H2,18,23)(H2,19,20,21,22).
What are the key properties of 6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide?
6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of -0.11, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropylamino)-4-[[4,6-bis(methylsulfonyl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 89488191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).