N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C14H20N4O2S — CID 63864550

IUPACN-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc2c(cc1C#N)CCC2)NS(C)(=O)=O
InChIInChI=1S/C14H20N4O2S/c1-14(2,18-21(3,19)20)9-16-13-11(8-15)7-10-5-4-6-12(10)17-13/h7,18H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyHAPFFGOGKVCZDK-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.18
Rot. Bonds5

About N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63864550) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63864550
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc2c(cc1C#N)CCC2)NS(C)(=O)=O
InChIInChI=1S/C14H20N4O2S/c1-14(2,18-21(3,19)20)9-16-13-11(8-15)7-10-5-4-6-12(10)17-13/h7,18H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyHAPFFGOGKVCZDK-UHFFFAOYSA-N
XLogP1.18
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 63864550) is N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1nc2c(cc1C#N)CCC2)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is HAPFFGOGKVCZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-14(2,18-21(3,19)20)9-16-13-11(8-15)7-10-5-4-6-12(10)17-13/h7,18H,4-6,9H2,1-3H3,(H,16,17).
What are the key properties of N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63864550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).