5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide

C16H21N3O3 — CID 172888596

IUPAC5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide
SMILESC=CC(=O)N1CCOC(CNC(=O)c2ccc(C)c(C)n2)C1
InChIInChI=1S/C16H21N3O3/c1-4-15(20)19-7-8-22-13(10-19)9-17-16(21)14-6-5-11(2)12(3)18-14/h4-6,13H,1,7-10H2,2-3H3,(H,17,21)
InChIKeyWZXAZJGWORCLSU-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.84
Rot. Bonds4

About 5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide

5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 172888596) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide
PubChem CID172888596
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide
SMILESC=CC(=O)N1CCOC(CNC(=O)c2ccc(C)c(C)n2)C1
InChIInChI=1S/C16H21N3O3/c1-4-15(20)19-7-8-22-13(10-19)9-17-16(21)14-6-5-11(2)12(3)18-14/h4-6,13H,1,7-10H2,2-3H3,(H,17,21)
InChIKeyWZXAZJGWORCLSU-UHFFFAOYSA-N
XLogP0.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(4-prop-2-enoylmorpholin-2-yl)methyl]urea
CID 139015420
4-[(3-fluorophenyl)methyl]-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]benzamide
CID 172888597
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]pyridazine-3-carboxamide
CID 79083051
2-(4-prop-2-enoylmorpholin-2-yl)acetic acid
CID 66419978
N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide
CID 56750091
N-[(4-acetylmorpholin-2-yl)methyl]-4-methoxypyridine-2-carboxamide
CID 118785820
N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 56758878
N-(4-ethylphenyl)-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
CID 172889629
N-[2-(4-chlorophenoxy)ethyl]-2-[(2R)-4-prop-2-enoylmorpholin-2-yl]acetamide
CID 172889633
6-(4-acetylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109096136
4-[3-[2-(acetamidomethyl)morpholin-4-yl]-3-oxoprop-1-enyl]benzoic acid
CID 126781394
8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide
CID 70785399

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide (CID 172888596) is 5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide is C=CC(=O)N1CCOC(CNC(=O)c2ccc(C)c(C)n2)C1.
What is the InChIKey of 5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is WZXAZJGWORCLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-15(20)19-7-8-22-13(10-19)9-17-16(21)14-6-5-11(2)12(3)18-14/h4-6,13H,1,7-10H2,2-3H3,(H,17,21).
What are the key properties of 5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide?
5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(4-prop-2-enoylmorpholin-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 172888596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).