N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide

C30H35N5O2 — CID 11317976

IUPACN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)C(Cc2nc3ccncc3c(=O)n2Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C30H35N5O2/c1-21(2)27(34(17-7-15-31)29(36)24-12-10-22(3)11-13-24)18-28-33-26-14-16-32-19-25(26)30(37)35(28)20-23-8-5-4-6-9-23/h4-6,8-14,16,19,21,27H,7,15,17-18,20,31H2,1-3H3
InChIKeyQLJKUCTXCILXOX-UHFFFAOYSA-N
MW497.64 g/mol
LogP4.21
Rot. Bonds10

About N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide

N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide (PubChem CID 11317976) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide
PubChem CID11317976
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC NameN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)C(Cc2nc3ccncc3c(=O)n2Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C30H35N5O2/c1-21(2)27(34(17-7-15-31)29(36)24-12-10-22(3)11-13-24)18-28-33-26-14-16-32-19-25(26)30(37)35(28)20-23-8-5-4-6-9-23/h4-6,8-14,16,19,21,27H,7,15,17-18,20,31H2,1-3H3
InChIKeyQLJKUCTXCILXOX-UHFFFAOYSA-N
XLogP4.21
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[3,4-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide
CID 11306545
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-4-methylpentan-3-yl]-4-methylbenzamide
CID 11156507
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 6851740
N-(3-aminopropyl)-N-[1-(7-benzyl-8-oxopyrimido[5,4-c]pyridazin-6-yl)-2-methylpropyl]-4-methylbenzamide
CID 22172601
2-[1-[3-aminopropyl-(4-methylbenzoyl)amino]-2-methylpropyl]-1-benzyl-4-methyl-6-oxopyrimidine-5-carboxamide
CID 69426709
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-4-oxothieno[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
CID 54756913
N-[3-(3-benzyl-4-oxopyrido[3,4-d]pyrimidin-2-yl)-2-methylpropyl]-N-(2-fluoro-3-hydroxypropyl)-4-methylbenzamide
CID 69460907
N-(3-aminopropyl)-N-[(1S)-1-(3-benzyl-8-chloro-4-oxopyrazolo[1,5-a][1,3,5]triazin-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 42639261
N-(3-aminopropyl)-N-[1-[1-benzyl-5-(3,4-dimethylphenyl)-4-methyl-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide
CID 21076869
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxofuro[3,2-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
CID 54758307
N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-fluorobenzamide
CID 10229801
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-fluorobenzamide
CID 71508543

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide (CID 11317976) is N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N(CCCN)C(Cc2nc3ccncc3c(=O)n2Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide?
The InChIKey is QLJKUCTXCILXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-21(2)27(34(17-7-15-31)29(36)24-12-10-22(3)11-13-24)18-28-33-26-14-16-32-19-25(26)30(37)35(28)20-23-8-5-4-6-9-23/h4-6,8-14,16,19,21,27H,7,15,17-18,20,31H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide?
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide has a molecular weight of 497.64 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxopyrido[4,3-d]pyrimidin-2-yl)-3-methylbutan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 11317976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).