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

C22H32N6O2S — CID 110263229

IUPACN,N-dimethyl-2-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
SMILESCc1nc(C2CCCCN2S(=O)(=O)N(C)C)nc2c1CCCN2CCc1ccccn1
InChIInChI=1S/C22H32N6O2S/c1-17-19-10-8-14-27(16-12-18-9-4-6-13-23-18)22(19)25-21(24-17)20-11-5-7-15-28(20)31(29,30)26(2)3/h4,6,9,13,20H,5,7-8,10-12,14-16H2,1-3H3
InChIKeyXFTBTMMZKLTZGS-UHFFFAOYSA-N
MW444.61 g/mol
LogP2.51
Rot. Bonds6

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

N,N-dimethyl-2-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide (PubChem CID 110263229) has the molecular formula C22H32N6O2S and a molecular weight of 444.61 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
PubChem CID110263229
Molecular FormulaC22H32N6O2S
Molecular Weight444.61 g/mol
Exact Mass444.23
IUPAC NameN,N-dimethyl-2-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
SMILESCc1nc(C2CCCCN2S(=O)(=O)N(C)C)nc2c1CCCN2CCc1ccccn1
InChIInChI=1S/C22H32N6O2S/c1-17-19-10-8-14-27(16-12-18-9-4-6-13-23-18)22(19)25-21(24-17)20-11-5-7-15-28(20)31(29,30)26(2)3/h4,6,9,13,20H,5,7-8,10-12,14-16H2,1-3H3
InChIKeyXFTBTMMZKLTZGS-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[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 N,N-dimethyl-2-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide (CID 110263229) is N,N-dimethyl-2-[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 N,N-dimethyl-2-[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 N,N-dimethyl-2-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide is Cc1nc(C2CCCCN2S(=O)(=O)N(C)C)nc2c1CCCN2CCc1ccccn1.
What is the InChIKey of N,N-dimethyl-2-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide?
The InChIKey is XFTBTMMZKLTZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2S/c1-17-19-10-8-14-27(16-12-18-9-4-6-13-23-18)22(19)25-21(24-17)20-11-5-7-15-28(20)31(29,30)26(2)3/h4,6,9,13,20H,5,7-8,10-12,14-16H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide?
N,N-dimethyl-2-[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 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[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 110263229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).