3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide

C28H30ClN5O4 — CID 118137018

IUPAC3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide
SMILESCC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(C(=O)NCC4CC4)ccnc32)C1
InChIInChI=1S/C28H30ClN5O4/c1-28(2)15-33(16-28)23(35)14-34-24-21(20(9-10-30-24)25(36)31-12-17-3-4-17)11-22(27(34)38)26(37)32-13-18-5-7-19(29)8-6-18/h5-11,17H,3-4,12-16H2,1-2H3,(H,31,36)(H,32,37)
InChIKeyNSSMBVAEFPQCNC-UHFFFAOYSA-N
MW536.03 g/mol
LogP2.99
Rot. Bonds8

About 3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide

3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide (PubChem CID 118137018) has the molecular formula C28H30ClN5O4 and a molecular weight of 536.03 g/mol. Its IUPAC name is 3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide
PubChem CID118137018
Molecular FormulaC28H30ClN5O4
Molecular Weight536.03 g/mol
Exact Mass535.20
IUPAC Name3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide
SMILESCC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(C(=O)NCC4CC4)ccnc32)C1
InChIInChI=1S/C28H30ClN5O4/c1-28(2)15-33(16-28)23(35)14-34-24-21(20(9-10-30-24)25(36)31-12-17-3-4-17)11-22(27(34)38)26(37)32-13-18-5-7-19(29)8-6-18/h5-11,17H,3-4,12-16H2,1-2H3,(H,31,36)(H,32,37)
InChIKeyNSSMBVAEFPQCNC-UHFFFAOYSA-N
XLogP2.99
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.03
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide (CID 118137018) is 3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide is CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(C(=O)NCC4CC4)ccnc32)C1.
What is the InChIKey of 3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide?
The InChIKey is NSSMBVAEFPQCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O4/c1-28(2)15-33(16-28)23(35)14-34-24-21(20(9-10-30-24)25(36)31-12-17-3-4-17)11-22(27(34)38)26(37)32-13-18-5-7-19(29)8-6-18/h5-11,17H,3-4,12-16H2,1-2H3,(H,31,36)(H,32,37).
What are the key properties of 3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide?
3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide has a molecular weight of 536.03 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-chlorophenyl)methyl]-5-N-(cyclopropylmethyl)-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3,5-dicarboxamide is sourced from PubChem (CID 118137018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).