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

C23H25FN6O — CID 127042857

IUPACN-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C23H25FN6O/c1-16(31)25-11-12-27-22-19-15-30(14-17-5-7-18(24)8-6-17)13-9-20(19)28-23(29-22)21-4-2-3-10-26-21/h2-8,10H,9,11-15H2,1H3,(H,25,31)(H,27,28,29)
InChIKeyUDIXBLYBCJKBOV-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.78
Rot. Bonds7

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

N-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 127042857) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID127042857
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC NameN-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C23H25FN6O/c1-16(31)25-11-12-27-22-19-15-30(14-17-5-7-18(24)8-6-17)13-9-20(19)28-23(29-22)21-4-2-3-10-26-21/h2-8,10H,9,11-15H2,1H3,(H,25,31)(H,27,28,29)
InChIKeyUDIXBLYBCJKBOV-UHFFFAOYSA-N
XLogP2.78
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (CID 127042857) is N-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of N-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is UDIXBLYBCJKBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-16(31)25-11-12-27-22-19-15-30(14-17-5-7-18(24)8-6-17)13-9-20(19)28-23(29-22)21-4-2-3-10-26-21/h2-8,10H,9,11-15H2,1H3,(H,25,31)(H,27,28,29).
What are the key properties of N-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?
N-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 127042857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).