tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid

C17H26N4O3 — CID 67218167

IUPACtert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(Nc2ccc(C(N)=O)cn2)CC1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)21(16(23)24)13-7-5-12(6-8-13)20-14-9-4-11(10-19-14)15(18)22/h4,9-10,12-13H,5-8H2,1-3H3,(H2,18,22)(H,19,20)(H,23,24)
InChIKeyBUKQZERFHILPGO-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.68
Rot. Bonds4

About tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid

tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid (PubChem CID 67218167) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid
PubChem CID67218167
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(Nc2ccc(C(N)=O)cn2)CC1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)21(16(23)24)13-7-5-12(6-8-13)20-14-9-4-11(10-19-14)15(18)22/h4,9-10,12-13H,5-8H2,1-3H3,(H2,18,22)(H,19,20)(H,23,24)
InChIKeyBUKQZERFHILPGO-UHFFFAOYSA-N
XLogP2.68
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid?
The IUPAC name of tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid (CID 67218167) is tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid.
What is the SMILES notation for tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid?
The canonical SMILES for tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid is CC(C)(C)N(C(=O)O)C1CCC(Nc2ccc(C(N)=O)cn2)CC1.
What is the InChIKey of tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid?
The InChIKey is BUKQZERFHILPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-17(2,3)21(16(23)24)13-7-5-12(6-8-13)20-14-9-4-11(10-19-14)15(18)22/h4,9-10,12-13H,5-8H2,1-3H3,(H2,18,22)(H,19,20)(H,23,24).
What are the key properties of tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid?
tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid has a molecular weight of 334.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(5-carbamoyl-2-pyridinyl)amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 67218167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).