2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid

C19H25N3O7 — CID 58238080

IUPAC2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)NCC2CC2)c(=O)n(C2CCCCC2)c1O
InChIInChI=1S/C19H25N3O7/c23-12(24)9-21-17(27)14-15(25)13(16(26)20-8-10-6-7-10)18(28)22(19(14)29)11-4-2-1-3-5-11/h10-11,25,29H,1-9H2,(H,20,26)(H,21,27)(H,23,24)
InChIKeyWCLLNKZJPJTTKQ-UHFFFAOYSA-N
MW407.42 g/mol
LogP0.72
Rot. Bonds7

About 2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid

2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238080) has the molecular formula C19H25N3O7 and a molecular weight of 407.42 g/mol. Its IUPAC name is 2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
PubChem CID58238080
Molecular FormulaC19H25N3O7
Molecular Weight407.42 g/mol
Exact Mass407.17
IUPAC Name2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)NCC2CC2)c(=O)n(C2CCCCC2)c1O
InChIInChI=1S/C19H25N3O7/c23-12(24)9-21-17(27)14-15(25)13(16(26)20-8-10-6-7-10)18(28)22(19(14)29)11-4-2-1-3-5-11/h10-11,25,29H,1-9H2,(H,20,26)(H,21,27)(H,23,24)
InChIKeyWCLLNKZJPJTTKQ-UHFFFAOYSA-N
XLogP0.72
TPSA157.96 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 50.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid (CID 58238080) is 2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(C(=O)NCC2CC2)c(=O)n(C2CCCCC2)c1O.
What is the InChIKey of 2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
The InChIKey is WCLLNKZJPJTTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O7/c23-12(24)9-21-17(27)14-15(25)13(16(26)20-8-10-6-7-10)18(28)22(19(14)29)11-4-2-1-3-5-11/h10-11,25,29H,1-9H2,(H,20,26)(H,21,27)(H,23,24).
What are the key properties of 2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid?
2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 407.42 g/mol, XLogP of 0.72, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclohexyl-5-(cyclopropylmethylcarbamoyl)-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).