5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide

C27H32N4O — CID 177269126

IUPAC5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
SMILESCNc1ccc(C2(NC(=O)c3cc(N4CC(N(C)C)C4)ccc3C)CC2)c2ccccc12
InChIInChI=1S/C27H32N4O/c1-18-9-10-19(31-16-20(17-31)30(3)4)15-23(18)26(32)29-27(13-14-27)24-11-12-25(28-2)22-8-6-5-7-21(22)24/h5-12,15,20,28H,13-14,16-17H2,1-4H3,(H,29,32)
InChIKeyMYLJPDAFBKUHFF-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.36
Rot. Bonds6

About 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide (PubChem CID 177269126) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
PubChem CID177269126
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
SMILESCNc1ccc(C2(NC(=O)c3cc(N4CC(N(C)C)C4)ccc3C)CC2)c2ccccc12
InChIInChI=1S/C27H32N4O/c1-18-9-10-19(31-16-20(17-31)30(3)4)15-23(18)26(32)29-27(13-14-27)24-11-12-25(28-2)22-8-6-5-7-21(22)24/h5-12,15,20,28H,13-14,16-17H2,1-4H3,(H,29,32)
InChIKeyMYLJPDAFBKUHFF-UHFFFAOYSA-N
XLogP4.36
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide?
The IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide (CID 177269126) is 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide.
What is the SMILES notation for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide?
The canonical SMILES for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide is CNc1ccc(C2(NC(=O)c3cc(N4CC(N(C)C)C4)ccc3C)CC2)c2ccccc12.
What is the InChIKey of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide?
The InChIKey is MYLJPDAFBKUHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-18-9-10-19(31-16-20(17-31)30(3)4)15-23(18)26(32)29-27(13-14-27)24-11-12-25(28-2)22-8-6-5-7-21(22)24/h5-12,15,20,28H,13-14,16-17H2,1-4H3,(H,29,32).
What are the key properties of 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide?
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide is sourced from PubChem (CID 177269126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).