N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

C25H28N6O4 — CID 157030194

IUPACN-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)c2nc(-c3cc(O[C@@H]4CCOC4)ccn3)nc3c2CCC3)cn1
InChIInChI=1S/C25H28N6O4/c1-31(14-22(32)28-16-6-7-23(33-2)27-13-16)25-19-4-3-5-20(19)29-24(30-25)21-12-17(8-10-26-21)35-18-9-11-34-15-18/h6-8,10,12-13,18H,3-5,9,11,14-15H2,1-2H3,(H,28,32)/t18-/m1/s1
InChIKeyOLTFDSWVIXUABY-GOSISDBHSA-N
MW476.54 g/mol
LogP2.67
Rot. Bonds8

About N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide

N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (PubChem CID 157030194) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
PubChem CID157030194
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC NameN-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)c2nc(-c3cc(O[C@@H]4CCOC4)ccn3)nc3c2CCC3)cn1
InChIInChI=1S/C25H28N6O4/c1-31(14-22(32)28-16-6-7-23(33-2)27-13-16)25-19-4-3-5-20(19)29-24(30-25)21-12-17(8-10-26-21)35-18-9-11-34-15-18/h6-8,10,12-13,18H,3-5,9,11,14-15H2,1-2H3,(H,28,32)/t18-/m1/s1
InChIKeyOLTFDSWVIXUABY-GOSISDBHSA-N
XLogP2.67
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide (CID 157030194) is N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is COc1ccc(NC(=O)CN(C)c2nc(-c3cc(O[C@@H]4CCOC4)ccn3)nc3c2CCC3)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is OLTFDSWVIXUABY-GOSISDBHSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-31(14-22(32)28-16-6-7-23(33-2)27-13-16)25-19-4-3-5-20(19)29-24(30-25)21-12-17(8-10-26-21)35-18-9-11-34-15-18/h6-8,10,12-13,18H,3-5,9,11,14-15H2,1-2H3,(H,28,32)/t18-/m1/s1.
What are the key properties of N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide?
N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 476.54 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-2-[methyl-[2-[4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 157030194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).