N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

C26H31N5O3 — CID 170202495

IUPACN-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
SMILESCCCOc1ccnc(-c2nc3c(c(N(C)CC(=O)N(C)c4ccc(OC)cc4)n2)CCC3)c1
InChIInChI=1S/C26H31N5O3/c1-5-15-34-20-13-14-27-23(16-20)25-28-22-8-6-7-21(22)26(29-25)30(2)17-24(32)31(3)18-9-11-19(33-4)12-10-18/h9-14,16H,5-8,15,17H2,1-4H3
InChIKeyWZLJVRPPWPCMDR-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.92
Rot. Bonds9

About N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (PubChem CID 170202495) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
PubChem CID170202495
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC NameN-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
SMILESCCCOc1ccnc(-c2nc3c(c(N(C)CC(=O)N(C)c4ccc(OC)cc4)n2)CCC3)c1
InChIInChI=1S/C26H31N5O3/c1-5-15-34-20-13-14-27-23(16-20)25-28-22-8-6-7-21(22)26(29-25)30(2)17-24(32)31(3)18-9-11-19(33-4)12-10-18/h9-14,16H,5-8,15,17H2,1-4H3
InChIKeyWZLJVRPPWPCMDR-UHFFFAOYSA-N
XLogP3.92
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
CID 170202506
2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 166823569
[2-[4-[[2-[tert-butyl(methyl)amino]-2-oxoethyl]-methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl] hypoiodite
CID 166817085
ethane;ethyl 2-[methyl-[2-[4-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetate
CID 157032049
2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
CID 157030249
2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-morpholin-4-ylethanone
CID 157030240
1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone
CID 166817040
N-ethyl-2-[[2-[4-[(2R)-2-hydroxybutoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029503
2-[[2-[4-(2,2-dimethylpropoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 170202535
N-(6-fluoro-3-pyridinyl)-2-[[2-[4-(2-hydroxyethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 170208164
N-tert-butyl-2-[methyl-[2-[4-(2-methylsulfonylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide;formic acid
CID 175851841
N-tert-butyl-2-[methyl-[2-[4-[[(2R)-oxiran-2-yl]methoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157029382

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (CID 170202495) is N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is CCCOc1ccnc(-c2nc3c(c(N(C)CC(=O)N(C)c4ccc(OC)cc4)n2)CCC3)c1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is WZLJVRPPWPCMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-5-15-34-20-13-14-27-23(16-20)25-28-22-8-6-7-21(22)26(29-25)30(2)17-24(32)31(3)18-9-11-19(33-4)12-10-18/h9-14,16H,5-8,15,17H2,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 461.57 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-2-[methyl-[2-(4-propoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 170202495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).