N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C23H25N5O4 — CID 43064063

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C23H25N5O4/c29-21(25-12-18-14-27(8-9-32-18)13-15-4-2-1-3-5-15)16-10-19-20(24-11-16)28(17-6-7-17)23(31)26-22(19)30/h1-5,10-11,17-18H,6-9,12-14H2,(H,25,29)(H,26,30,31)
InChIKeyYNHKNQQVQYQGCE-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.05
Rot. Bonds6

About N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 43064063) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID43064063
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C23H25N5O4/c29-21(25-12-18-14-27(8-9-32-18)13-15-4-2-1-3-5-15)16-10-19-20(24-11-16)28(17-6-7-17)23(31)26-22(19)30/h1-5,10-11,17-18H,6-9,12-14H2,(H,25,29)(H,26,30,31)
InChIKeyYNHKNQQVQYQGCE-UHFFFAOYSA-N
XLogP1.05
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 30531698
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 37330796
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36863765
N-[(4-benzylmorpholin-2-yl)methyl]-9-oxofluorene-2-carboxamide
CID 42939286
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
N-[(4-benzylmorpholin-2-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460681
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-3,5-dimethoxybenzamide
CID 17480503
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 39984479
1-cyclopropyl-2,4-dioxo-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 60553544

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 43064063) is N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is O=C(NCC1CN(Cc2ccccc2)CCO1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YNHKNQQVQYQGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c29-21(25-12-18-14-27(8-9-32-18)13-15-4-2-1-3-5-15)16-10-19-20(24-11-16)28(17-6-7-17)23(31)26-22(19)30/h1-5,10-11,17-18H,6-9,12-14H2,(H,25,29)(H,26,30,31).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 43064063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).