N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide

C30H37FN4O2 — CID 11613079

IUPACN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)C(c2nc3n(c(=O)c2Cc2ccccc2)CCCC3)C(C)C)cc1F
InChIInChI=1S/C30H37FN4O2/c1-20(2)28(35(17-9-15-32)29(36)23-14-13-21(3)25(31)19-23)27-24(18-22-10-5-4-6-11-22)30(37)34-16-8-7-12-26(34)33-27/h4-6,10-11,13-14,19-20,28H,7-9,12,15-18,32H2,1-3H3
InChIKeyBWZYNWCMTYBERI-UHFFFAOYSA-N
MW504.65 g/mol
LogP4.81
Rot. Bonds9

About N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide

N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide (PubChem CID 11613079) has the molecular formula C30H37FN4O2 and a molecular weight of 504.65 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide
PubChem CID11613079
Molecular FormulaC30H37FN4O2
Molecular Weight504.65 g/mol
Exact Mass504.29
IUPAC NameN-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)C(c2nc3n(c(=O)c2Cc2ccccc2)CCCC3)C(C)C)cc1F
InChIInChI=1S/C30H37FN4O2/c1-20(2)28(35(17-9-15-32)29(36)23-14-13-21(3)25(31)19-23)27-24(18-22-10-5-4-6-11-22)30(37)34-16-8-7-12-26(34)33-27/h4-6,10-11,13-14,19-20,28H,7-9,12,15-18,32H2,1-3H3
InChIKeyBWZYNWCMTYBERI-UHFFFAOYSA-N
XLogP4.81
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.65
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide 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-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide (CID 11613079) is N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)N(CCCN)C(c2nc3n(c(=O)c2Cc2ccccc2)CCCC3)C(C)C)cc1F.
What is the InChIKey of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide?
The InChIKey is BWZYNWCMTYBERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O2/c1-20(2)28(35(17-9-15-32)29(36)23-14-13-21(3)25(31)19-23)27-24(18-22-10-5-4-6-11-22)30(37)34-16-8-7-12-26(34)33-27/h4-6,10-11,13-14,19-20,28H,7-9,12,15-18,32H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide?
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide has a molecular weight of 504.65 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 11613079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).