N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide

C26H29N5O2S — CID 54757416

IUPACN-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccsc2c(=O)n1Cc1ccccn1)N(CCCN)C(=O)c1ccc(C)cc1
InChIInChI=1S/C26H29N5O2S/c1-3-22(30(15-6-13-27)25(32)19-10-8-18(2)9-11-19)24-29-21-12-16-34-23(21)26(33)31(24)17-20-7-4-5-14-28-20/h4-5,7-12,14,16,22H,3,6,13,15,17,27H2,1-2H3
InChIKeyWKOKWBNKOMFALB-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.15
Rot. Bonds9

About N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide

N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide (PubChem CID 54757416) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide
PubChem CID54757416
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC NameN-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide
SMILESCCC(c1nc2ccsc2c(=O)n1Cc1ccccn1)N(CCCN)C(=O)c1ccc(C)cc1
InChIInChI=1S/C26H29N5O2S/c1-3-22(30(15-6-13-27)25(32)19-10-8-18(2)9-11-19)24-29-21-12-16-34-23(21)26(33)31(24)17-20-7-4-5-14-28-20/h4-5,7-12,14,16,22H,3,6,13,15,17,27H2,1-2H3
InChIKeyWKOKWBNKOMFALB-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide?
The IUPAC name of N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide (CID 54757416) is N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide is CCC(c1nc2ccsc2c(=O)n1Cc1ccccn1)N(CCCN)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide?
The InChIKey is WKOKWBNKOMFALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-3-22(30(15-6-13-27)25(32)19-10-8-18(2)9-11-19)24-29-21-12-16-34-23(21)26(33)31(24)17-20-7-4-5-14-28-20/h4-5,7-12,14,16,22H,3,6,13,15,17,27H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide?
N-(3-aminopropyl)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide 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)-4-methyl-N-[1-[4-oxo-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]propyl]benzamide is sourced from PubChem (CID 54757416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).