N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide

C32H31N5O2S — CID 44814953

IUPACN-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)c1cccc2ccccc12
InChIInChI=1S/C32H31N5O2S/c38-40(39,30-17-9-15-26-14-7-8-16-27(26)30)36-31-28-23-37(22-25-12-5-2-6-13-25)21-19-29(28)34-32(35-31)33-20-18-24-10-3-1-4-11-24/h1-17H,18-23H2,(H2,33,34,35,36)
InChIKeyFKSBEXPEECRYBF-UHFFFAOYSA-N
MW549.70 g/mol
LogP5.64
Rot. Bonds9

About N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide

N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide (PubChem CID 44814953) has the molecular formula C32H31N5O2S and a molecular weight of 549.70 g/mol. Its IUPAC name is N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide
PubChem CID44814953
Molecular FormulaC32H31N5O2S
Molecular Weight549.70 g/mol
Exact Mass549.22
IUPAC NameN-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)c1cccc2ccccc12
InChIInChI=1S/C32H31N5O2S/c38-40(39,30-17-9-15-26-14-7-8-16-27(26)30)36-31-28-23-37(22-25-12-5-2-6-13-25)21-19-29(28)34-32(35-31)33-20-18-24-10-3-1-4-11-24/h1-17H,18-23H2,(H2,33,34,35,36)
InChIKeyFKSBEXPEECRYBF-UHFFFAOYSA-N
XLogP5.64
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.70
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide 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 N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide (CID 44814953) is N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide is O=S(=O)(Nc1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)c1cccc2ccccc12.
What is the InChIKey of N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide?
The InChIKey is FKSBEXPEECRYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O2S/c38-40(39,30-17-9-15-26-14-7-8-16-27(26)30)36-31-28-23-37(22-25-12-5-2-6-13-25)21-19-29(28)34-32(35-31)33-20-18-24-10-3-1-4-11-24/h1-17H,18-23H2,(H2,33,34,35,36).
What are the key properties of N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide?
N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide has a molecular weight of 549.70 g/mol, XLogP of 5.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 44814953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).