3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide

C27H23N5O2 — CID 175993656

IUPAC3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide
SMILESCn1c(=O)cc(N(CC2CC2)c2cc(C(N)=O)ccc2-c2ccccc2)c2nc(C#N)ccc21
InChIInChI=1S/C27H23N5O2/c1-31-22-12-10-20(15-28)30-26(22)24(14-25(31)33)32(16-17-7-8-17)23-13-19(27(29)34)9-11-21(23)18-5-3-2-4-6-18/h2-6,9-14,17H,7-8,16H2,1H3,(H2,29,34)
InChIKeyHWFWOQRDWHFKTK-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.12
Rot. Bonds6

About 3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide

3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide (PubChem CID 175993656) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide.

Molecular Properties

Compound Name3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide
PubChem CID175993656
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC Name3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide
SMILESCn1c(=O)cc(N(CC2CC2)c2cc(C(N)=O)ccc2-c2ccccc2)c2nc(C#N)ccc21
InChIInChI=1S/C27H23N5O2/c1-31-22-12-10-20(15-28)30-26(22)24(14-25(31)33)32(16-17-7-8-17)23-13-19(27(29)34)9-11-21(23)18-5-3-2-4-6-18/h2-6,9-14,17H,7-8,16H2,1H3,(H2,29,34)
InChIKeyHWFWOQRDWHFKTK-UHFFFAOYSA-N
XLogP4.12
TPSA105.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide?
The IUPAC name of 3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide (CID 175993656) is 3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide.
What is the SMILES notation for 3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide?
The canonical SMILES for 3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide is Cn1c(=O)cc(N(CC2CC2)c2cc(C(N)=O)ccc2-c2ccccc2)c2nc(C#N)ccc21.
What is the InChIKey of 3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide?
The InChIKey is HWFWOQRDWHFKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-31-22-12-10-20(15-28)30-26(22)24(14-25(31)33)32(16-17-7-8-17)23-13-19(27(29)34)9-11-21(23)18-5-3-2-4-6-18/h2-6,9-14,17H,7-8,16H2,1H3,(H2,29,34).
What are the key properties of 3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide?
3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide has a molecular weight of 449.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-(cyclopropylmethyl)amino]-4-phenylbenzamide is sourced from PubChem (CID 175993656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).