1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

About 1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 59596904) has the molecular formula C30H32F2N6O4 and a molecular weight of 578.62 g/mol. Its IUPAC name is 1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name	1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID	59596904
Molecular Formula	C30H32F2N6O4
Molecular Weight	578.62 g/mol
Exact Mass	578.25
IUPAC Name	1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILES	CN(CCCN1CCC1)C(=O)Nc1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)c(F)c2)ccn1
InChI	InChI=1S/C30H32F2N6O4/c1-37(14-2-15-38-16-3-17-38)29(41)36-26-19-23(10-13-33-26)42-22-8-9-25(24(32)18-22)35-28(40)30(11-12-30)27(39)34-21-6-4-20(31)5-7-21/h4-10,13,18-19H,2-3,11-12,14-17H2,1H3,(H,34,39)(H,35,40)(H,33,36,41)
InChIKey	DSFKBFSKZGOHMC-UHFFFAOYSA-N
XLogP	5.07
TPSA	115.90 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	11
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.62
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 59596904) is 1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is CN(CCCN1CCC1)C(=O)Nc1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)c(F)c2)ccn1.

What is the InChIKey of 1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The InChIKey is DSFKBFSKZGOHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6O4/c1-37(14-2-15-38-16-3-17-38)29(41)36-26-19-23(10-13-33-26)42-22-8-9-25(24(32)18-22)35-28(40)30(11-12-30)27(39)34-21-6-4-20(31)5-7-21/h4-10,13,18-19H,2-3,11-12,14-17H2,1H3,(H,34,39)(H,35,40)(H,33,36,41).

What are the key properties of 1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 578.62 g/mol, XLogP of 5.07, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 59596904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).