3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide

C29H28ClN7O4 — CID 71766962

IUPAC3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide
SMILESCC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(C(=O)NCc4cnccn4)cnc32)C1
InChIInChI=1S/C29H28ClN7O4/c1-29(2)16-36(17-29)24(38)15-37-25-19(9-20(12-33-25)26(39)35-14-22-13-31-7-8-32-22)10-23(28(37)41)27(40)34-11-18-3-5-21(30)6-4-18/h3-10,12-13H,11,14-17H2,1-2H3,(H,34,40)(H,35,39)
InChIKeyIGFSQPPGGWHULZ-UHFFFAOYSA-N
MW574.04 g/mol
LogP2.57
Rot. Bonds8

About 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide

3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide (PubChem CID 71766962) has the molecular formula C29H28ClN7O4 and a molecular weight of 574.04 g/mol. Its IUPAC name is 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide.

Molecular Properties

Compound Name3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide
PubChem CID71766962
Molecular FormulaC29H28ClN7O4
Molecular Weight574.04 g/mol
Exact Mass573.19
IUPAC Name3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide
SMILESCC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(C(=O)NCc4cnccn4)cnc32)C1
InChIInChI=1S/C29H28ClN7O4/c1-29(2)16-36(17-29)24(38)15-37-25-19(9-20(12-33-25)26(39)35-14-22-13-31-7-8-32-22)10-23(28(37)41)27(40)34-11-18-3-5-21(30)6-4-18/h3-10,12-13H,11,14-17H2,1-2H3,(H,34,40)(H,35,39)
InChIKeyIGFSQPPGGWHULZ-UHFFFAOYSA-N
XLogP2.57
TPSA139.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.04
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide?
The IUPAC name of 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide (CID 71766962) is 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide.
What is the SMILES notation for 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide?
The canonical SMILES for 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide is CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3cc(C(=O)NCc4cnccn4)cnc32)C1.
What is the InChIKey of 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide?
The InChIKey is IGFSQPPGGWHULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN7O4/c1-29(2)16-36(17-29)24(38)15-37-25-19(9-20(12-33-25)26(39)35-14-22-13-31-7-8-32-22)10-23(28(37)41)27(40)34-11-18-3-5-21(30)6-4-18/h3-10,12-13H,11,14-17H2,1-2H3,(H,34,40)(H,35,39).
What are the key properties of 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide?
3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide has a molecular weight of 574.04 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-6-N-(pyrazin-2-ylmethyl)-1,8-naphthyridine-3,6-dicarboxamide is sourced from PubChem (CID 71766962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).