5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile

C24H29N7 — CID 152612011

IUPAC5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile
SMILESCCc1cnc2ccc(-c3cnc(C#N)nc3)nc2c1NC1CCC(CN(C)C)CC1
InChIInChI=1S/C24H29N7/c1-4-17-12-26-21-10-9-20(18-13-27-22(11-25)28-14-18)30-24(21)23(17)29-19-7-5-16(6-8-19)15-31(2)3/h9-10,12-14,16,19H,4-8,15H2,1-3H3,(H,26,29)
InChIKeyYZSLQIXSJMGUIO-UHFFFAOYSA-N
MW415.55 g/mol
LogP4.05
Rot. Bonds6

About 5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile

5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile (PubChem CID 152612011) has the molecular formula C24H29N7 and a molecular weight of 415.55 g/mol. Its IUPAC name is 5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile
PubChem CID152612011
Molecular FormulaC24H29N7
Molecular Weight415.55 g/mol
Exact Mass415.25
IUPAC Name5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile
SMILESCCc1cnc2ccc(-c3cnc(C#N)nc3)nc2c1NC1CCC(CN(C)C)CC1
InChIInChI=1S/C24H29N7/c1-4-17-12-26-21-10-9-20(18-13-27-22(11-25)28-14-18)30-24(21)23(17)29-19-7-5-16(6-8-19)15-31(2)3/h9-10,12-14,16,19H,4-8,15H2,1-3H3,(H,26,29)
InChIKeyYZSLQIXSJMGUIO-UHFFFAOYSA-N
XLogP4.05
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.55
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile (CID 152612011) is 5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile is CCc1cnc2ccc(-c3cnc(C#N)nc3)nc2c1NC1CCC(CN(C)C)CC1.
What is the InChIKey of 5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile?
The InChIKey is YZSLQIXSJMGUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7/c1-4-17-12-26-21-10-9-20(18-13-27-22(11-25)28-14-18)30-24(21)23(17)29-19-7-5-16(6-8-19)15-31(2)3/h9-10,12-14,16,19H,4-8,15H2,1-3H3,(H,26,29).
What are the key properties of 5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile?
5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile has a molecular weight of 415.55 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-7-ethyl-1,5-naphthyridin-2-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 152612011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).