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

C24H29N5O — CID 71666024

IUPAC1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3ccncc3)nc2c1NC1CCC(CN(C)C)CC1
InChIInChI=1S/C24H29N5O/c1-16(30)20-14-26-22-9-8-21(18-10-12-25-13-11-18)28-24(22)23(20)27-19-6-4-17(5-7-19)15-29(2)3/h8-14,17,19H,4-7,15H2,1-3H3,(H,26,27)
InChIKeyNKCHIXRHDOVERC-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.43
Rot. Bonds6

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

1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone (PubChem CID 71666024) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone
PubChem CID71666024
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(-c3ccncc3)nc2c1NC1CCC(CN(C)C)CC1
InChIInChI=1S/C24H29N5O/c1-16(30)20-14-26-22-9-8-21(18-10-12-25-13-11-18)28-24(22)23(20)27-19-6-4-17(5-7-19)15-29(2)3/h8-14,17,19H,4-7,15H2,1-3H3,(H,26,27)
InChIKeyNKCHIXRHDOVERC-UHFFFAOYSA-N
XLogP4.43
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone (CID 71666024) is 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone is CC(=O)c1cnc2ccc(-c3ccncc3)nc2c1NC1CCC(CN(C)C)CC1.
What is the InChIKey of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone?
The InChIKey is NKCHIXRHDOVERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-16(30)20-14-26-22-9-8-21(18-10-12-25-13-11-18)28-24(22)23(20)27-19-6-4-17(5-7-19)15-29(2)3/h8-14,17,19H,4-7,15H2,1-3H3,(H,26,27).
What are the key properties of 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone?
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone has a molecular weight of 403.53 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 71666024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).