N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide

C16H15N3O2 — CID 102821471

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C#CCN)ccn2)cc1
InChIInChI=1S/C16H15N3O2/c1-21-14-6-4-13(5-7-14)16(20)19-15-11-12(3-2-9-17)8-10-18-15/h4-8,10-11H,9,17H2,1H3,(H,18,19,20)
InChIKeyNQONEDWLGVZLSZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.65
Rot. Bonds3

About N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide (PubChem CID 102821471) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide
PubChem CID102821471
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C#CCN)ccn2)cc1
InChIInChI=1S/C16H15N3O2/c1-21-14-6-4-13(5-7-14)16(20)19-15-11-12(3-2-9-17)8-10-18-15/h4-8,10-11H,9,17H2,1H3,(H,18,19,20)
InChIKeyNQONEDWLGVZLSZ-UHFFFAOYSA-N
XLogP1.65
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.65
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-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,4-dimethylbenzamide
CID 102821474
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-fluoro-3-methylbenzamide
CID 102821459
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
CID 102821396
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 102821306
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide
CID 107690785
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 102821364
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide
CID 102820800
4-hydroxy-N-(4-methoxy-2-pyridinyl)benzamide
CID 121273557
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
CID 10475851
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
CID 102821435
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
CID 102821254
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3,5-dimethylbenzamide
CID 102821002

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide (CID 102821471) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C#CCN)ccn2)cc1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide?
The InChIKey is NQONEDWLGVZLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-14-6-4-13(5-7-14)16(20)19-15-11-12(3-2-9-17)8-10-18-15/h4-8,10-11H,9,17H2,1H3,(H,18,19,20).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide has a molecular weight of 281.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 102821471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).