(3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide

C22H32N6O2S — CID 92622379

IUPAC(3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
SMILESCc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2CCc1ccccn1
InChIInChI=1S/C22H32N6O2S/c1-17-20-10-7-13-27(15-11-19-9-4-5-12-23-19)22(20)25-21(24-17)18-8-6-14-28(16-18)31(29,30)26(2)3/h4-5,9,12,18H,6-8,10-11,13-16H2,1-3H3/t18-/m1/s1
InChIKeyIDRWSCFMGDHTIK-GOSISDBHSA-N
MW444.61 g/mol
LogP2.16
Rot. Bonds6

About (3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide

(3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide (PubChem CID 92622379) has the molecular formula C22H32N6O2S and a molecular weight of 444.61 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
PubChem CID92622379
Molecular FormulaC22H32N6O2S
Molecular Weight444.61 g/mol
Exact Mass444.23
IUPAC Name(3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
SMILESCc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2CCc1ccccn1
InChIInChI=1S/C22H32N6O2S/c1-17-20-10-7-13-27(15-11-19-9-4-5-12-23-19)22(20)25-21(24-17)18-8-6-14-28(16-18)31(29,30)26(2)3/h4-5,9,12,18H,6-8,10-11,13-16H2,1-3H3/t18-/m1/s1
InChIKeyIDRWSCFMGDHTIK-GOSISDBHSA-N
XLogP2.16
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.61
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide?
The IUPAC name of (3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide (CID 92622379) is (3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide?
The canonical SMILES for (3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide is Cc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2CCc1ccccn1.
What is the InChIKey of (3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide?
The InChIKey is IDRWSCFMGDHTIK-GOSISDBHSA-N. The full InChI is InChI=1S/C22H32N6O2S/c1-17-20-10-7-13-27(15-11-19-9-4-5-12-23-19)22(20)25-21(24-17)18-8-6-14-28(16-18)31(29,30)26(2)3/h4-5,9,12,18H,6-8,10-11,13-16H2,1-3H3/t18-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide?
(3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide has a molecular weight of 444.61 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 92622379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).