1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone

C23H28N6O — CID 141407148

IUPAC1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cncnc3)nc2c1NC1CCC(CN(C)C)CC1
InChIInChI=1S/C23H28N6O/c1-15(30)19-12-26-21-9-8-20(17-10-24-14-25-11-17)28-23(21)22(19)27-18-6-4-16(5-7-18)13-29(2)3/h8-12,14,16,18H,4-7,13H2,1-3H3,(H,26,27)
InChIKeyDXMZAQOAVZQKHI-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.82
Rot. Bonds6

About 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone

1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone (PubChem CID 141407148) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone
PubChem CID141407148
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3cncnc3)nc2c1NC1CCC(CN(C)C)CC1
InChIInChI=1S/C23H28N6O/c1-15(30)19-12-26-21-9-8-20(17-10-24-14-25-11-17)28-23(21)22(19)27-18-6-4-16(5-7-18)13-29(2)3/h8-12,14,16,18H,4-7,13H2,1-3H3,(H,26,27)
InChIKeyDXMZAQOAVZQKHI-UHFFFAOYSA-N
XLogP3.82
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone (CID 141407148) is 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone is CC(=O)c1cnc2ccc(-c3cncnc3)nc2c1NC1CCC(CN(C)C)CC1.
What is the InChIKey of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone?
The InChIKey is DXMZAQOAVZQKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-15(30)19-12-26-21-9-8-20(17-10-24-14-25-11-17)28-23(21)22(19)27-18-6-4-16(5-7-18)13-29(2)3/h8-12,14,16,18H,4-7,13H2,1-3H3,(H,26,27).
What are the key properties of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone?
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone has a molecular weight of 404.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyrimidin-5-yl-1,5-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 141407148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).