N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

C16H16N2O3 — CID 66483246

IUPACN-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1ccncc1C#CCO
InChIInChI=1S/C16H16N2O3/c1-12(10-14-5-3-9-21-14)18-16(20)15-6-7-17-11-13(15)4-2-8-19/h3,5-7,9,11-12,19H,8,10H2,1H3,(H,18,20)
InChIKeyGFNRMKAMCJVPCF-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.38
Rot. Bonds4

About N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide

N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (PubChem CID 66483246) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
PubChem CID66483246
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1ccncc1C#CCO
InChIInChI=1S/C16H16N2O3/c1-12(10-14-5-3-9-21-14)18-16(20)15-6-7-17-11-13(15)4-2-8-19/h3,5-7,9,11-12,19H,8,10H2,1H3,(H,18,20)
InChIKeyGFNRMKAMCJVPCF-UHFFFAOYSA-N
XLogP1.38
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484230
N-[1-(furan-2-yl)propan-2-yl]-4-hydrazinylpyridine-3-carboxamide
CID 81256734
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484582
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 103113261
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482239
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
1-[1-(furan-2-yl)propan-2-yl]-3-pyridin-3-ylurea
CID 47172008
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819
3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 66482472

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide (CID 66483246) is N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is CC(Cc1ccco1)NC(=O)c1ccncc1C#CCO.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
The InChIKey is GFNRMKAMCJVPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12(10-14-5-3-9-21-14)18-16(20)15-6-7-17-11-13(15)4-2-8-19/h3,5-7,9,11-12,19H,8,10H2,1H3,(H,18,20).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide?
N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide is sourced from PubChem (CID 66483246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).