2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide

C23H32N6O3 — CID 157030010

IUPAC2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
SMILESCC(=O)NCCOc1ccnc(-c2nc3c(c(N(C)CC(=O)NC(C)(C)C)n2)CCC3)c1
InChIInChI=1S/C23H32N6O3/c1-15(30)24-11-12-32-16-9-10-25-19(13-16)21-26-18-8-6-7-17(18)22(27-21)29(5)14-20(31)28-23(2,3)4/h9-10,13H,6-8,11-12,14H2,1-5H3,(H,24,30)(H,28,31)
InChIKeyNNRPPRZNEMKETR-UHFFFAOYSA-N
MW440.55 g/mol
LogP1.89
Rot. Bonds8

About 2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide

2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide (PubChem CID 157030010) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
PubChem CID157030010
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC Name2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
SMILESCC(=O)NCCOc1ccnc(-c2nc3c(c(N(C)CC(=O)NC(C)(C)C)n2)CCC3)c1
InChIInChI=1S/C23H32N6O3/c1-15(30)24-11-12-32-16-9-10-25-19(13-16)21-26-18-8-6-7-17(18)22(27-21)29(5)14-20(31)28-23(2,3)4/h9-10,13H,6-8,11-12,14H2,1-5H3,(H,24,30)(H,28,31)
InChIKeyNNRPPRZNEMKETR-UHFFFAOYSA-N
XLogP1.89
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Dsr-6434
CID 25071151
N-(3-methoxypropyl)-2-{4-[4-(2-pyridinyl)-2-pyrimidinyl]phenoxy}acetamide
CID 4252590
6-amino-2-(butylamino)-9-[[6-[2-(methylamino)ethoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 71520574
US10150728, Example I-432
CID 122497709
N-tert-butyl-2-[methyl(2-{4-[2-(pyridazin-3-yloxy)ethoxy]pyridin-2-yl}-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide
CID 157029590
2-[methyl(2-{4-[2-(thiomorpholin-4-yl)ethoxy]pyridin-2-yl}-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl)amino]-N-(propan-2-yl)acetamide
CID 157029654
2-[(2-{4-[2-(dimethylamino)ethoxy]pyridin-2-yl}-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl)(methyl)amino]-N-(propan-2-yl)acetamide
CID 157029775
2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-phenoxyethyl)acetamide
CID 53569010
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 53569880
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-phenoxyethyl)acetamide
CID 53570751
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-phenoxyethyl)acetamide
CID 53625266
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenoxyacetamide
CID 4442364

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide (CID 157030010) is 2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide is CC(=O)NCCOc1ccnc(-c2nc3c(c(N(C)CC(=O)NC(C)(C)C)n2)CCC3)c1.
What is the InChIKey of 2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide?
The InChIKey is NNRPPRZNEMKETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3/c1-15(30)24-11-12-32-16-9-10-25-19(13-16)21-26-18-8-6-7-17(18)22(27-21)29(5)14-20(31)28-23(2,3)4/h9-10,13H,6-8,11-12,14H2,1-5H3,(H,24,30)(H,28,31).
What are the key properties of 2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide?
2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide has a molecular weight of 440.55 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 157030010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).