N-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide

C25H40N4O3 — CID 138671019

IUPACN-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide
SMILESCOc1nc2c(c(OCC3CCCCC3)n1)CN(CCC1CCC(NC(C)=O)CC1)CC2
InChIInChI=1S/C25H40N4O3/c1-18(30)26-21-10-8-19(9-11-21)12-14-29-15-13-23-22(16-29)24(28-25(27-23)31-2)32-17-20-6-4-3-5-7-20/h19-21H,3-17H2,1-2H3,(H,26,30)
InChIKeyVJGVRNKSDGDHIV-UHFFFAOYSA-N
MW444.62 g/mol
LogP3.89
Rot. Bonds8

About N-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide

N-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide (PubChem CID 138671019) has the molecular formula C25H40N4O3 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide
PubChem CID138671019
Molecular FormulaC25H40N4O3
Molecular Weight444.62 g/mol
Exact Mass444.31
IUPAC NameN-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide
SMILESCOc1nc2c(c(OCC3CCCCC3)n1)CN(CCC1CCC(NC(C)=O)CC1)CC2
InChIInChI=1S/C25H40N4O3/c1-18(30)26-21-10-8-19(9-11-21)12-14-29-15-13-23-22(16-29)24(28-25(27-23)31-2)32-17-20-6-4-3-5-7-20/h19-21H,3-17H2,1-2H3,(H,26,30)
InChIKeyVJGVRNKSDGDHIV-UHFFFAOYSA-N
XLogP3.89
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide (CID 138671019) is N-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide is COc1nc2c(c(OCC3CCCCC3)n1)CN(CCC1CCC(NC(C)=O)CC1)CC2.
What is the InChIKey of N-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is VJGVRNKSDGDHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3/c1-18(30)26-21-10-8-19(9-11-21)12-14-29-15-13-23-22(16-29)24(28-25(27-23)31-2)32-17-20-6-4-3-5-7-20/h19-21H,3-17H2,1-2H3,(H,26,30).
What are the key properties of N-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide?
N-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 444.62 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(cyclohexylmethoxy)-2-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 138671019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).