2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide

C24H30N6O3 — CID 45268652

IUPAC2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(-c2ccc3nc(NCC(=O)N(C)C)c(=O)n(CC4CCCCC4)c3n2)cn1
InChIInChI=1S/C24H30N6O3/c1-29(2)21(31)14-26-22-24(32)30(15-16-7-5-4-6-8-16)23-19(27-22)11-10-18(28-23)17-9-12-20(33-3)25-13-17/h9-13,16H,4-8,14-15H2,1-3H3,(H,26,27)
InChIKeyROEGNRKYBCGLFT-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.94
Rot. Bonds7

About 2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide

2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide (PubChem CID 45268652) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide
PubChem CID45268652
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(-c2ccc3nc(NCC(=O)N(C)C)c(=O)n(CC4CCCCC4)c3n2)cn1
InChIInChI=1S/C24H30N6O3/c1-29(2)21(31)14-26-22-24(32)30(15-16-7-5-4-6-8-16)23-19(27-22)11-10-18(28-23)17-9-12-20(33-3)25-13-17/h9-13,16H,4-8,14-15H2,1-3H3,(H,26,27)
InChIKeyROEGNRKYBCGLFT-UHFFFAOYSA-N
XLogP2.94
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide (CID 45268652) is 2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide is COc1ccc(-c2ccc3nc(NCC(=O)N(C)C)c(=O)n(CC4CCCCC4)c3n2)cn1.
What is the InChIKey of 2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide?
The InChIKey is ROEGNRKYBCGLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-29(2)21(31)14-26-22-24(32)30(15-16-7-5-4-6-8-16)23-19(27-22)11-10-18(28-23)17-9-12-20(33-3)25-13-17/h9-13,16H,4-8,14-15H2,1-3H3,(H,26,27).
What are the key properties of 2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide?
2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide has a molecular weight of 450.54 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-3-oxopyrido[2,3-b]pyrazin-2-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 45268652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).