N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C17H23N5OS — CID 94030968

About N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 94030968) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• PubChem CID: 94030968
• Molecular Formula: C17H23N5OS
• Molecular Weight: 345.47 g/mol
• Exact Mass: 345.16
• IUPAC Name: N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1ncc2c(n1)CCN(C(=O)NC[C@H](c1ccsc1)N(C)C)C2
• InChI: InChI=1S/C17H23N5OS/c1-12-18-8-14-10-22(6-4-15(14)20-12)17(23)19-9-16(21(2)3)13-5-7-24-11-13/h5,7-8,11,16H,4,6,9-10H2,1-3H3,(H,19,23)/t16-/m1/s1
• InChIKey: JYMLONWVNXKEDE-MRXNPFEDSA-N
• XLogP: 2.22
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.47
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 94030968) is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1ncc2c(n1)CCN(C(=O)NC[C@H](c1ccsc1)N(C)C)C2.

What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

The InChIKey is JYMLONWVNXKEDE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-18-8-14-10-22(6-4-15(14)20-12)17(23)19-9-16(21(2)3)13-5-7-24-11-13/h5,7-8,11,16H,4,6,9-10H2,1-3H3,(H,19,23)/t16-/m1/s1.

What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 94030968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).