3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide

C16H17N3O2 — CID 66483088

IUPAC3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccncc2C#CCN)o1
InChIInChI=1S/C16H17N3O2/c1-12-5-6-14(21-12)11-19(2)16(20)15-7-9-18-10-13(15)4-3-8-17/h5-7,9-10H,8,11,17H2,1-2H3
InChIKeyUWBQMBFPLAJSDV-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.57
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide

3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 66483088) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
PubChem CID66483088
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccncc2C#CCN)o1
InChIInChI=1S/C16H17N3O2/c1-12-5-6-14(21-12)11-19(2)16(20)15-7-9-18-10-13(15)4-3-8-17/h5-7,9-10H,8,11,17H2,1-2H3
InChIKeyUWBQMBFPLAJSDV-UHFFFAOYSA-N
XLogP1.57
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484447
3-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 66482327
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 60816381
3-(3-aminoprop-1-ynyl)-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104553614
3-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide
CID 66482895
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81436154
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 66481909
3-(3-aminoprop-1-ynyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 66482126
3-(3-aminoprop-1-ynyl)-N-[(5-ethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 106014577
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 66472049
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 66484822
3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 82786543

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide (CID 66483088) is 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide is Cc1ccc(CN(C)C(=O)c2ccncc2C#CCN)o1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is UWBQMBFPLAJSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-5-6-14(21-12)11-19(2)16(20)15-7-9-18-10-13(15)4-3-8-17/h5-7,9-10H,8,11,17H2,1-2H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide?
3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66483088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).