6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide

C16H18ClN7O3S — CID 145285773

IUPAC6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide
SMILESCCCn1c(=O)c(NCc2ccc(S(N)(=O)=O)cn2)nc2c(C)nc(Cl)nc21
InChIInChI=1S/C16H18ClN7O3S/c1-3-6-24-14-12(9(2)21-16(17)23-14)22-13(15(24)25)20-7-10-4-5-11(8-19-10)28(18,26)27/h4-5,8H,3,6-7H2,1-2H3,(H,20,22)(H2,18,26,27)
InChIKeyWLZOSXBUQZHQSS-UHFFFAOYSA-N
MW423.89 g/mol
LogP1.21
Rot. Bonds6

About 6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide

6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide (PubChem CID 145285773) has the molecular formula C16H18ClN7O3S and a molecular weight of 423.89 g/mol. Its IUPAC name is 6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide
PubChem CID145285773
Molecular FormulaC16H18ClN7O3S
Molecular Weight423.89 g/mol
Exact Mass423.09
IUPAC Name6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide
SMILESCCCn1c(=O)c(NCc2ccc(S(N)(=O)=O)cn2)nc2c(C)nc(Cl)nc21
InChIInChI=1S/C16H18ClN7O3S/c1-3-6-24-14-12(9(2)21-16(17)23-14)22-13(15(24)25)20-7-10-4-5-11(8-19-10)28(18,26)27/h4-5,8H,3,6-7H2,1-2H3,(H,20,22)(H2,18,26,27)
InChIKeyWLZOSXBUQZHQSS-UHFFFAOYSA-N
XLogP1.21
TPSA145.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.89
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-[[[2-chloro-8-(2-methylpropyl)-7-oxopteridin-6-yl]amino]methyl]pyridine-3-sulfonamide
CID 118440658
2-chloro-8-[(1S)-1-cyclopropylethyl]-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-4-methylpteridin-7-one
CID 140928001
8-[(2R)-butan-2-yl]-2-chloro-6-[(5-ethylsulfanyl-2-pyridinyl)methylamino]-4-methylpteridin-7-one
CID 145285833
8-[(2R)-butan-2-yl]-2-chloro-4-methyl-6-[(5-methylsulfonylpyrazin-2-yl)methylamino]pteridin-7-one
CID 140928046
6-[[(6-chloro-1-methylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]pyridine-3-sulfonamide
CID 156538991
2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-6-[[4-(ethylsulfonimidoyl)phenyl]methylamino]-4-methyl-8-propylpteridin-7-one
CID 139437344
2-chloro-8-[(1R)-1-cyclopropylethyl]-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]pteridin-7-one
CID 118440613
2-(4-cyclopropyl-6-methylpyrimidin-5-yl)-8-ethyl-6-[(5-methylsulfonyl-2-pyridinyl)methylamino]pteridin-7-one
CID 138713976
2-chloro-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]-8-[(1S,2S)-2-methoxycyclopentyl]pteridin-7-one
CID 118440694
2-chloro-6-[(6-ethylsulfanyl-3-pyridinyl)methylamino]-8-(1-fluoropropan-2-yl)-4-methylpteridin-7-one
CID 139437399
4-[[(6-chloro-1-methyl-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 156539601
2-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-8-[(2R)-butan-2-yl]-6-[(5-ethylsulfonyl-2-pyridinyl)methylamino]pteridin-7-one
CID 118440583

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide (CID 145285773) is 6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide is CCCn1c(=O)c(NCc2ccc(S(N)(=O)=O)cn2)nc2c(C)nc(Cl)nc21.
What is the InChIKey of 6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide?
The InChIKey is WLZOSXBUQZHQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN7O3S/c1-3-6-24-14-12(9(2)21-16(17)23-14)22-13(15(24)25)20-7-10-4-5-11(8-19-10)28(18,26)27/h4-5,8H,3,6-7H2,1-2H3,(H,20,22)(H2,18,26,27).
What are the key properties of 6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide?
6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide has a molecular weight of 423.89 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-chloro-4-methyl-7-oxo-8-propylpteridin-6-yl)amino]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 145285773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).