N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide

C24H28ClFN4O3 — CID 155883376

IUPACN-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(Cl)c(C2NC(=O)CC(c3ccc(OCC4CC4)nc3)N2)c1F
InChIInChI=1S/C24H28ClFN4O3/c1-13(2)24(32)28-11-16-5-7-17(25)21(22(16)26)23-29-18(9-19(31)30-23)15-6-8-20(27-10-15)33-12-14-3-4-14/h5-8,10,13-14,18,23,29H,3-4,9,11-12H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyZAAAMADRNSWORO-UHFFFAOYSA-N
MW474.96 g/mol
LogP3.78
Rot. Bonds8

About N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide

N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide (PubChem CID 155883376) has the molecular formula C24H28ClFN4O3 and a molecular weight of 474.96 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide
PubChem CID155883376
Molecular FormulaC24H28ClFN4O3
Molecular Weight474.96 g/mol
Exact Mass474.18
IUPAC NameN-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(Cl)c(C2NC(=O)CC(c3ccc(OCC4CC4)nc3)N2)c1F
InChIInChI=1S/C24H28ClFN4O3/c1-13(2)24(32)28-11-16-5-7-17(25)21(22(16)26)23-29-18(9-19(31)30-23)15-6-8-20(27-10-15)33-12-14-3-4-14/h5-8,10,13-14,18,23,29H,3-4,9,11-12H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyZAAAMADRNSWORO-UHFFFAOYSA-N
XLogP3.78
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.96
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10710967, Example 45
CID 155883269
US10710967, Example 78
CID 155883301
US10710967, Example 178
CID 155883397
US10710967, Example 202
CID 155883420
US10710967, Example 203
CID 155883421
US10710967, Example 266
CID 155883482
US10710967, Example 278
CID 155883494
US10710967, Example 300
CID 155883515
2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 71239187
2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 71239550
2-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 71239569
2-(2,4-dichloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 71239599

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide (CID 155883376) is N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ccc(Cl)c(C2NC(=O)CC(c3ccc(OCC4CC4)nc3)N2)c1F.
What is the InChIKey of N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide?
The InChIKey is ZAAAMADRNSWORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4O3/c1-13(2)24(32)28-11-16-5-7-17(25)21(22(16)26)23-29-18(9-19(31)30-23)15-6-8-20(27-10-15)33-12-14-3-4-14/h5-8,10,13-14,18,23,29H,3-4,9,11-12H2,1-2H3,(H,28,32)(H,30,31).
What are the key properties of N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide?
N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide has a molecular weight of 474.96 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155883376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).