N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide

C26H29N5O2S — CID 54758216

IUPACN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide
SMILESCCC(c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)nc1
InChIInChI=1S/C26H29N5O2S/c1-3-22(30(14-7-13-27)25(32)20-11-10-18(2)28-16-20)24-29-21-12-15-34-23(21)26(33)31(24)17-19-8-5-4-6-9-19/h4-6,8-12,15-16,22H,3,7,13-14,17,27H2,1-2H3
InChIKeyOOWQQEPOSBRZSW-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.15
Rot. Bonds9

About N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide

N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide (PubChem CID 54758216) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide
PubChem CID54758216
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC NameN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide
SMILESCCC(c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)nc1
InChIInChI=1S/C26H29N5O2S/c1-3-22(30(14-7-13-27)25(32)20-11-10-18(2)28-16-20)24-29-21-12-15-34-23(21)26(33)31(24)17-19-8-5-4-6-9-19/h4-6,8-12,15-16,22H,3,7,13-14,17,27H2,1-2H3
InChIKeyOOWQQEPOSBRZSW-UHFFFAOYSA-N
XLogP4.15
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide 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-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide (CID 54758216) is N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide is CCC(c1nc2ccsc2c(=O)n1Cc1ccccc1)N(CCCN)C(=O)c1ccc(C)nc1.
What is the InChIKey of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide?
The InChIKey is OOWQQEPOSBRZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-3-22(30(14-7-13-27)25(32)20-11-10-18(2)28-16-20)24-29-21-12-15-34-23(21)26(33)31(24)17-19-8-5-4-6-9-19/h4-6,8-12,15-16,22H,3,7,13-14,17,27H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide?
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 54758216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).