6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide

C16H24ClN5O3 — CID 126810031

IUPAC6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide
SMILESCN(CC(N)=O)CC1CN(c2ncc(C(=O)N(C)C)cc2Cl)CCO1
InChIInChI=1S/C16H24ClN5O3/c1-20(2)16(24)11-6-13(17)15(19-7-11)22-4-5-25-12(9-22)8-21(3)10-14(18)23/h6-7,12H,4-5,8-10H2,1-3H3,(H2,18,23)
InChIKeyILAWGWWHRLTHGQ-UHFFFAOYSA-N
MW369.85 g/mol
LogP0.06
Rot. Bonds6

About 6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide

6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide (PubChem CID 126810031) has the molecular formula C16H24ClN5O3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide
PubChem CID126810031
Molecular FormulaC16H24ClN5O3
Molecular Weight369.85 g/mol
Exact Mass369.16
IUPAC Name6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide
SMILESCN(CC(N)=O)CC1CN(c2ncc(C(=O)N(C)C)cc2Cl)CCO1
InChIInChI=1S/C16H24ClN5O3/c1-20(2)16(24)11-6-13(17)15(19-7-11)22-4-5-25-12(9-22)8-21(3)10-14(18)23/h6-7,12H,4-5,8-10H2,1-3H3,(H2,18,23)
InChIKeyILAWGWWHRLTHGQ-UHFFFAOYSA-N
XLogP0.06
TPSA92.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide (CID 126810031) is 6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide is CN(CC(N)=O)CC1CN(c2ncc(C(=O)N(C)C)cc2Cl)CCO1.
What is the InChIKey of 6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is ILAWGWWHRLTHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN5O3/c1-20(2)16(24)11-6-13(17)15(19-7-11)22-4-5-25-12(9-22)8-21(3)10-14(18)23/h6-7,12H,4-5,8-10H2,1-3H3,(H2,18,23).
What are the key properties of 6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide?
6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(2-amino-2-oxoethyl)-methylamino]methyl]morpholin-4-yl]-5-chloro-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 126810031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).