N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C23H23ClN4O4 — CID 123993801

IUPACN-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2cccnc2n(CC(=O)N2CCCC2CO)c1=O
InChIInChI=1S/C23H23ClN4O4/c24-17-7-5-15(6-8-17)12-26-22(31)19-11-16-3-1-9-25-21(16)28(23(19)32)13-20(30)27-10-2-4-18(27)14-29/h1,3,5-9,11,18,29H,2,4,10,12-14H2,(H,26,31)
InChIKeyDMAZWDIPQMEIGQ-UHFFFAOYSA-N
MW454.91 g/mol
LogP1.96
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 123993801) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID123993801
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2cccnc2n(CC(=O)N2CCCC2CO)c1=O
InChIInChI=1S/C23H23ClN4O4/c24-17-7-5-15(6-8-17)12-26-22(31)19-11-16-3-1-9-25-21(16)28(23(19)32)13-20(30)27-10-2-4-18(27)14-29/h1,3,5-9,11,18,29H,2,4,10,12-14H2,(H,26,31)
InChIKeyDMAZWDIPQMEIGQ-UHFFFAOYSA-N
XLogP1.96
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 123993801) is N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc2cccnc2n(CC(=O)N2CCCC2CO)c1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is DMAZWDIPQMEIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c24-17-7-5-15(6-8-17)12-26-22(31)19-11-16-3-1-9-25-21(16)28(23(19)32)13-20(30)27-10-2-4-18(27)14-29/h1,3,5-9,11,18,29H,2,4,10,12-14H2,(H,26,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 454.91 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 123993801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).