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

C32H41FN4O2 — CID 11635145

IUPACN-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide
SMILESCCNCCCN(C(=O)c1ccc(C)c(F)c1)C(c1nc2n(c(=O)c1Cc1ccccc1)CCCC2)C(C)C
InChIInChI=1S/C32H41FN4O2/c1-5-34-17-11-19-37(31(38)25-16-15-23(4)27(33)21-25)30(22(2)3)29-26(20-24-12-7-6-8-13-24)32(39)36-18-10-9-14-28(36)35-29/h6-8,12-13,15-16,21-22,30,34H,5,9-11,14,17-20H2,1-4H3
InChIKeyXXHQDSFHABTCHE-UHFFFAOYSA-N
MW532.70 g/mol
LogP5.46
Rot. Bonds11

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

N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide (PubChem CID 11635145) has the molecular formula C32H41FN4O2 and a molecular weight of 532.70 g/mol. Its IUPAC name is N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide
PubChem CID11635145
Molecular FormulaC32H41FN4O2
Molecular Weight532.70 g/mol
Exact Mass532.32
IUPAC NameN-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide
SMILESCCNCCCN(C(=O)c1ccc(C)c(F)c1)C(c1nc2n(c(=O)c1Cc1ccccc1)CCCC2)C(C)C
InChIInChI=1S/C32H41FN4O2/c1-5-34-17-11-19-37(31(38)25-16-15-23(4)27(33)21-25)30(22(2)3)29-26(20-24-12-7-6-8-13-24)32(39)36-18-10-9-14-28(36)35-29/h6-8,12-13,15-16,21-22,30,34H,5,9-11,14,17-20H2,1-4H3
InChIKeyXXHQDSFHABTCHE-UHFFFAOYSA-N
XLogP5.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.70
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-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-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide (CID 11635145) is N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide is CCNCCCN(C(=O)c1ccc(C)c(F)c1)C(c1nc2n(c(=O)c1Cc1ccccc1)CCCC2)C(C)C.
What is the InChIKey of N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide?
The InChIKey is XXHQDSFHABTCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41FN4O2/c1-5-34-17-11-19-37(31(38)25-16-15-23(4)27(33)21-25)30(22(2)3)29-26(20-24-12-7-6-8-13-24)32(39)36-18-10-9-14-28(36)35-29/h6-8,12-13,15-16,21-22,30,34H,5,9-11,14,17-20H2,1-4H3.
What are the key properties of N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide?
N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide has a molecular weight of 532.70 g/mol, XLogP of 5.46, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)-2-methylpropyl]-N-[3-(ethylamino)propyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 11635145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).