[1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid

C24H32N6O3 — CID 67083707

IUPAC[1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid
SMILESNC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCC(CNC(=O)O)CC2)c1
InChIInChI=1S/C24H32N6O3/c25-23(31)18-12-20(17-6-9-26-21(13-17)28-19-4-2-1-3-5-19)29-22(14-18)30-10-7-16(8-11-30)15-27-24(32)33/h6,9,12-14,16,19,27H,1-5,7-8,10-11,15H2,(H2,25,31)(H,26,28)(H,32,33)
InChIKeyWAPLGAWWUXPSPL-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.47
Rot. Bonds7

About [1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid

[1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid (PubChem CID 67083707) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is [1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid
PubChem CID67083707
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name[1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid
SMILESNC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCC(CNC(=O)O)CC2)c1
InChIInChI=1S/C24H32N6O3/c25-23(31)18-12-20(17-6-9-26-21(13-17)28-19-4-2-1-3-5-19)29-22(14-18)30-10-7-16(8-11-30)15-27-24(32)33/h6,9,12-14,16,19,27H,1-5,7-8,10-11,15H2,(H2,25,31)(H,26,28)(H,32,33)
InChIKeyWAPLGAWWUXPSPL-UHFFFAOYSA-N
XLogP3.47
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid (CID 67083707) is [1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid is NC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCC(CNC(=O)O)CC2)c1.
What is the InChIKey of [1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid?
The InChIKey is WAPLGAWWUXPSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c25-23(31)18-12-20(17-6-9-26-21(13-17)28-19-4-2-1-3-5-19)29-22(14-18)30-10-7-16(8-11-30)15-27-24(32)33/h6,9,12-14,16,19,27H,1-5,7-8,10-11,15H2,(H2,25,31)(H,26,28)(H,32,33).
What are the key properties of [1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid?
[1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid has a molecular weight of 452.56 g/mol, XLogP of 3.47, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 67083707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).