[4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid

C15H22N4O4 — CID 67217967

IUPAC[4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid
SMILESCOc1nc(NC2CCC(NC(=O)O)CC2)c(C)cc1C(N)=O
InChIInChI=1S/C15H22N4O4/c1-8-7-11(12(16)20)14(23-2)19-13(8)17-9-3-5-10(6-4-9)18-15(21)22/h7,9-10,18H,3-6H2,1-2H3,(H2,16,20)(H,17,19)(H,21,22)
InChIKeyRPTGMVQDHUKVFA-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.49
Rot. Bonds5

About [4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid

[4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid (PubChem CID 67217967) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is [4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid
PubChem CID67217967
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name[4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid
SMILESCOc1nc(NC2CCC(NC(=O)O)CC2)c(C)cc1C(N)=O
InChIInChI=1S/C15H22N4O4/c1-8-7-11(12(16)20)14(23-2)19-13(8)17-9-3-5-10(6-4-9)18-15(21)22/h7,9-10,18H,3-6H2,1-2H3,(H2,16,20)(H,17,19)(H,21,22)
InChIKeyRPTGMVQDHUKVFA-UHFFFAOYSA-N
XLogP1.49
TPSA126.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid (CID 67217967) is [4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid is COc1nc(NC2CCC(NC(=O)O)CC2)c(C)cc1C(N)=O.
What is the InChIKey of [4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid?
The InChIKey is RPTGMVQDHUKVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-8-7-11(12(16)20)14(23-2)19-13(8)17-9-3-5-10(6-4-9)18-15(21)22/h7,9-10,18H,3-6H2,1-2H3,(H2,16,20)(H,17,19)(H,21,22).
What are the key properties of [4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid?
[4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid has a molecular weight of 322.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-carbamoyl-6-methoxy-3-methyl-2-pyridinyl)amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 67217967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).