1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one

C22H30N6O — CID 28737781

IUPAC1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one
SMILESCc1ccnc(NCCNC2CCN(c3cccc(N4CCNC4=O)c3)CC2)c1
InChIInChI=1S/C22H30N6O/c1-17-5-8-24-21(15-17)25-10-9-23-18-6-12-27(13-7-18)19-3-2-4-20(16-19)28-14-11-26-22(28)29/h2-5,8,15-16,18,23H,6-7,9-14H2,1H3,(H,24,25)(H,26,29)
InChIKeyJVDOUCCNSXMFSL-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.59
Rot. Bonds7

About 1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one

1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one (PubChem CID 28737781) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one
PubChem CID28737781
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one
SMILESCc1ccnc(NCCNC2CCN(c3cccc(N4CCNC4=O)c3)CC2)c1
InChIInChI=1S/C22H30N6O/c1-17-5-8-24-21(15-17)25-10-9-23-18-6-12-27(13-7-18)19-3-2-4-20(16-19)28-14-11-26-22(28)29/h2-5,8,15-16,18,23H,6-7,9-14H2,1H3,(H,24,25)(H,26,29)
InChIKeyJVDOUCCNSXMFSL-UHFFFAOYSA-N
XLogP2.59
TPSA72.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one (CID 28737781) is 1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one is Cc1ccnc(NCCNC2CCN(c3cccc(N4CCNC4=O)c3)CC2)c1.
What is the InChIKey of 1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one?
The InChIKey is JVDOUCCNSXMFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-17-5-8-24-21(15-17)25-10-9-23-18-6-12-27(13-7-18)19-3-2-4-20(16-19)28-14-11-26-22(28)29/h2-5,8,15-16,18,23H,6-7,9-14H2,1H3,(H,24,25)(H,26,29).
What are the key properties of 1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one?
1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one has a molecular weight of 394.52 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-[(4-methyl-2-pyridinyl)amino]ethylamino]piperidin-1-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 28737781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).