N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide

C28H34N6O2 — CID 127042201

IUPACN-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccc(OC)cc2)CC3)C1
InChIInChI=1S/C28H34N6O2/c1-4-34(20(2)35)22-12-16-33(18-22)28-24-19-32(17-21-8-10-23(36-3)11-9-21)15-13-25(24)30-27(31-28)26-7-5-6-14-29-26/h5-11,14,22H,4,12-13,15-19H2,1-3H3
InChIKeyPXZGJKNAQRZHFN-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.55
Rot. Bonds7

About N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide

N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide (PubChem CID 127042201) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
PubChem CID127042201
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC NameN-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccc(OC)cc2)CC3)C1
InChIInChI=1S/C28H34N6O2/c1-4-34(20(2)35)22-12-16-33(18-22)28-24-19-32(17-21-8-10-23(36-3)11-9-21)15-13-25(24)30-27(31-28)26-7-5-6-14-29-26/h5-11,14,22H,4,12-13,15-19H2,1-3H3
InChIKeyPXZGJKNAQRZHFN-UHFFFAOYSA-N
XLogP3.55
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide (CID 127042201) is N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide is CCN(C(C)=O)C1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccc(OC)cc2)CC3)C1.
What is the InChIKey of N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is PXZGJKNAQRZHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-4-34(20(2)35)22-12-16-33(18-22)28-24-19-32(17-21-8-10-23(36-3)11-9-21)15-13-25(24)30-27(31-28)26-7-5-6-14-29-26/h5-11,14,22H,4,12-13,15-19H2,1-3H3.
What are the key properties of N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?
N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 486.62 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 127042201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).