[5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C20H21ClN6O2 — CID 133273389

IUPAC[5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1nccn1-c1ccc(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)cn1
InChIInChI=1S/C20H21ClN6O2/c1-14-22-4-5-27(14)18-3-2-15(11-23-18)12-24-19-17(21)10-16(13-25-19)20(28)26-6-8-29-9-7-26/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,25)
InChIKeyORDHODALJHYYGQ-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.71
Rot. Bonds5

About [5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133273389) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is [5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133273389
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC Name[5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1nccn1-c1ccc(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)cn1
InChIInChI=1S/C20H21ClN6O2/c1-14-22-4-5-27(14)18-3-2-15(11-23-18)12-24-19-17(21)10-16(13-25-19)20(28)26-6-8-29-9-7-26/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,25)
InChIKeyORDHODALJHYYGQ-UHFFFAOYSA-N
XLogP2.71
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133273389) is [5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is Cc1nccn1-c1ccc(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)cn1.
What is the InChIKey of [5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is ORDHODALJHYYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-14-22-4-5-27(14)18-3-2-15(11-23-18)12-24-19-17(21)10-16(13-25-19)20(28)26-6-8-29-9-7-26/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,25).
What are the key properties of [5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 412.88 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133273389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).