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

C23H26ClFN4O2 — CID 155883374

IUPACN-[[4-chloro-3-[4-(6-cyclopropyl-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(C4CC4)nc3)N2)c1F
InChIInChI=1S/C23H26ClFN4O2/c1-12(2)23(31)27-11-15-5-7-16(24)20(21(15)25)22-28-18(9-19(30)29-22)14-6-8-17(26-10-14)13-3-4-13/h5-8,10,12-13,18,22,28H,3-4,9,11H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyCDGUMNPAHGHFFG-UHFFFAOYSA-N
MW444.94 g/mol
LogP3.87
Rot. Bonds6

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

N-[[4-chloro-3-[4-(6-cyclopropyl-3-pyridinyl)-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide (PubChem CID 155883374) has the molecular formula C23H26ClFN4O2 and a molecular weight of 444.94 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-(6-cyclopropyl-3-pyridinyl)-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[4-(6-cyclopropyl-3-pyridinyl)-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide
PubChem CID155883374
Molecular FormulaC23H26ClFN4O2
Molecular Weight444.94 g/mol
Exact Mass444.17
IUPAC NameN-[[4-chloro-3-[4-(6-cyclopropyl-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(C4CC4)nc3)N2)c1F
InChIInChI=1S/C23H26ClFN4O2/c1-12(2)23(31)27-11-15-5-7-16(24)20(21(15)25)22-28-18(9-19(30)29-22)14-6-8-17(26-10-14)13-3-4-13/h5-8,10,12-13,18,22,28H,3-4,9,11H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyCDGUMNPAHGHFFG-UHFFFAOYSA-N
XLogP3.87
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-(6-cyclopropyl-3-pyridinyl)-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[4-chloro-3-[4-(6-cyclopropyl-3-pyridinyl)-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide (CID 155883374) is N-[[4-chloro-3-[4-(6-cyclopropyl-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-cyclopropyl-3-pyridinyl)-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[4-chloro-3-[4-(6-cyclopropyl-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(C4CC4)nc3)N2)c1F.
What is the InChIKey of N-[[4-chloro-3-[4-(6-cyclopropyl-3-pyridinyl)-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide?
The InChIKey is CDGUMNPAHGHFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O2/c1-12(2)23(31)27-11-15-5-7-16(24)20(21(15)25)22-28-18(9-19(30)29-22)14-6-8-17(26-10-14)13-3-4-13/h5-8,10,12-13,18,22,28H,3-4,9,11H2,1-2H3,(H,27,31)(H,29,30).
What are the key properties of N-[[4-chloro-3-[4-(6-cyclopropyl-3-pyridinyl)-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide?
N-[[4-chloro-3-[4-(6-cyclopropyl-3-pyridinyl)-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide has a molecular weight of 444.94 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[4-(6-cyclopropyl-3-pyridinyl)-6-oxo-1,3-diazinan-2-yl]-2-fluorophenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 155883374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).