N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide

C22H24N8O2 — CID 170324324

IUPACN-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cn1
InChIInChI=1S/C22H24N8O2/c1-13-18(11-25-21-20(13)23-6-8-32-21)30-7-5-15-9-26-22(29-17(15)12-30)28-16-3-4-19(24-10-16)27-14(2)31/h3-4,9-11,23H,5-8,12H2,1-2H3,(H,24,27,31)(H,26,28,29)
InChIKeyNLDISNSROSVVCM-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.64
Rot. Bonds4

About N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide

N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide (PubChem CID 170324324) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide
PubChem CID170324324
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cn1
InChIInChI=1S/C22H24N8O2/c1-13-18(11-25-21-20(13)23-6-8-32-21)30-7-5-15-9-26-22(29-17(15)12-30)28-16-3-4-19(24-10-16)27-14(2)31/h3-4,9-11,23H,5-8,12H2,1-2H3,(H,24,27,31)(H,26,28,29)
InChIKeyNLDISNSROSVVCM-UHFFFAOYSA-N
XLogP2.64
TPSA117.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide (CID 170324324) is N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(Nc2ncc3c(n2)CN(c2cnc4c(c2C)NCCO4)CC3)cn1.
What is the InChIKey of N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is NLDISNSROSVVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-13-18(11-25-21-20(13)23-6-8-32-21)30-7-5-15-9-26-22(29-17(15)12-30)28-16-3-4-19(24-10-16)27-14(2)31/h3-4,9-11,23H,5-8,12H2,1-2H3,(H,24,27,31)(H,26,28,29).
What are the key properties of N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide?
N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 432.49 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 170324324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).