2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide

C16H24Cl2N4O2 — CID 139405120

IUPAC2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide
SMILESC[C@@H]1CN(CCN(C)c2cc(NC(=O)CCl)c(Cl)cn2)C[C@H](C)O1
InChIInChI=1S/C16H24Cl2N4O2/c1-11-9-22(10-12(2)24-11)5-4-21(3)15-6-14(13(18)8-19-15)20-16(23)7-17/h6,8,11-12H,4-5,7,9-10H2,1-3H3,(H,19,20,23)/t11-,12+
InChIKeyMVCIBIHFXAZJPG-TXEJJXNPSA-N
MW375.30 g/mol
LogP2.46
Rot. Bonds6

About 2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide

2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide (PubChem CID 139405120) has the molecular formula C16H24Cl2N4O2 and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide
PubChem CID139405120
Molecular FormulaC16H24Cl2N4O2
Molecular Weight375.30 g/mol
Exact Mass374.13
IUPAC Name2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide
SMILESC[C@@H]1CN(CCN(C)c2cc(NC(=O)CCl)c(Cl)cn2)C[C@H](C)O1
InChIInChI=1S/C16H24Cl2N4O2/c1-11-9-22(10-12(2)24-11)5-4-21(3)15-6-14(13(18)8-19-15)20-16(23)7-17/h6,8,11-12H,4-5,7,9-10H2,1-3H3,(H,19,20,23)/t11-,12+
InChIKeyMVCIBIHFXAZJPG-TXEJJXNPSA-N
XLogP2.46
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide (CID 139405120) is 2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide is C[C@@H]1CN(CCN(C)c2cc(NC(=O)CCl)c(Cl)cn2)C[C@H](C)O1.
What is the InChIKey of 2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide?
The InChIKey is MVCIBIHFXAZJPG-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H24Cl2N4O2/c1-11-9-22(10-12(2)24-11)5-4-21(3)15-6-14(13(18)8-19-15)20-16(23)7-17/h6,8,11-12H,4-5,7,9-10H2,1-3H3,(H,19,20,23)/t11-,12+.
What are the key properties of 2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide?
2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide has a molecular weight of 375.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide is sourced from PubChem (CID 139405120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).