2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

C20H21FN4O2 — CID 47010863

IUPAC2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C20H21FN4O2/c1-2-24(14-19(26)22-12-15-6-8-16(21)9-7-15)13-17-11-20(27)25-10-4-3-5-18(25)23-17/h3-11H,2,12-14H2,1H3,(H,22,26)
InChIKeyAVLBTIFVLGUNPP-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.97
Rot. Bonds7

About 2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 47010863) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID47010863
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C20H21FN4O2/c1-2-24(14-19(26)22-12-15-6-8-16(21)9-7-15)13-17-11-20(27)25-10-4-3-5-18(25)23-17/h3-11H,2,12-14H2,1H3,(H,22,26)
InChIKeyAVLBTIFVLGUNPP-UHFFFAOYSA-N
XLogP1.97
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 47010863) is 2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is AVLBTIFVLGUNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-2-24(14-19(26)22-12-15-6-8-16(21)9-7-15)13-17-11-20(27)25-10-4-3-5-18(25)23-17/h3-11H,2,12-14H2,1H3,(H,22,26).
What are the key properties of 2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 368.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 47010863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).