N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

C14H18N4O3 — CID 83112396

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1ccncc1C#CCO
InChIInChI=1S/C14H18N4O3/c1-18(2)14(21)17-8-7-16-13(20)12-5-6-15-10-11(12)4-3-9-19/h5-6,10,19H,7-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyLLUTXUWBAIBAIR-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.57
Rot. Bonds4

About N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (PubChem CID 83112396) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
PubChem CID83112396
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1ccncc1C#CCO
InChIInChI=1S/C14H18N4O3/c1-18(2)14(21)17-8-7-16-13(20)12-5-6-15-10-11(12)4-3-9-19/h5-6,10,19H,7-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyLLUTXUWBAIBAIR-UHFFFAOYSA-N
XLogP-0.57
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482239
N-(2-cyclopentylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482847
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 66481909
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 83115570
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484972
3-(3-hydroxyprop-1-ynyl)-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 66483450
N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-4-carboxamide
CID 66484013
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 66483848
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 103113261
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66483043
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide
CID 66482084

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (CID 83112396) is N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is CN(C)C(=O)NCCNC(=O)c1ccncc1C#CCO.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The InChIKey is LLUTXUWBAIBAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-18(2)14(21)17-8-7-16-13(20)12-5-6-15-10-11(12)4-3-9-19/h5-6,10,19H,7-9H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide has a molecular weight of 290.32 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is sourced from PubChem (CID 83112396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).