N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide

C18H18F2N4O3 — CID 171496958

IUPACN-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide
SMILESCOc1ccc2c(n1)CN(C(C)C(=O)NCc1ccc(F)cc1F)C(=O)N2
InChIInChI=1S/C18H18F2N4O3/c1-10(17(25)21-8-11-3-4-12(19)7-13(11)20)24-9-15-14(23-18(24)26)5-6-16(22-15)27-2/h3-7,10H,8-9H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyJQRNOZJFVRCNBD-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.42
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide

N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide (PubChem CID 171496958) has the molecular formula C18H18F2N4O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide
PubChem CID171496958
Molecular FormulaC18H18F2N4O3
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide
SMILESCOc1ccc2c(n1)CN(C(C)C(=O)NCc1ccc(F)cc1F)C(=O)N2
InChIInChI=1S/C18H18F2N4O3/c1-10(17(25)21-8-11-3-4-12(19)7-13(11)20)24-9-15-14(23-18(24)26)5-6-16(22-15)27-2/h3-7,10H,8-9H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyJQRNOZJFVRCNBD-UHFFFAOYSA-N
XLogP2.42
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide;molecular hydrogen
CID 171496946
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide
CID 91628561
N-[(2,4-difluorophenyl)methyl]-2-[2-(methoxymethyl)-1,3-dioxan-2-yl]acetamide
CID 118264937
2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide
CID 62228150
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708034
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
(2S,3S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 62227396
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide (CID 171496958) is N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide is COc1ccc2c(n1)CN(C(C)C(=O)NCc1ccc(F)cc1F)C(=O)N2.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide?
The InChIKey is JQRNOZJFVRCNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3/c1-10(17(25)21-8-11-3-4-12(19)7-13(11)20)24-9-15-14(23-18(24)26)5-6-16(22-15)27-2/h3-7,10H,8-9H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide?
N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide has a molecular weight of 376.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(6-methoxy-2-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 171496958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).