N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide

C15H14N4O2 — CID 62874149

IUPACN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cccc(C#CCN)n1
InChIInChI=1S/C15H14N4O2/c1-21-15-12(7-4-10-17-15)14(20)19-13-8-2-5-11(18-13)6-3-9-16/h2,4-5,7-8,10H,9,16H2,1H3,(H,18,19,20)
InChIKeyKQUUZTRIPSHOIZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.05
Rot. Bonds3

About N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide (PubChem CID 62874149) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide
PubChem CID62874149
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cccc(C#CCN)n1
InChIInChI=1S/C15H14N4O2/c1-21-15-12(7-4-10-17-15)14(20)19-13-8-2-5-11(18-13)6-3-9-16/h2,4-5,7-8,10H,9,16H2,1H3,(H,18,19,20)
InChIKeyKQUUZTRIPSHOIZ-UHFFFAOYSA-N
XLogP1.05
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridine-2-carboxamide
CID 60814077
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 79214105
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-2-fluorobenzamide
CID 81267639
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-hydroxy-5-methylbenzamide
CID 60814416
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-chloro-2-methylbenzamide
CID 82874779
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpyrazole-3-carboxamide
CID 60813067
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-cyanobenzamide
CID 60814076
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoro-2-hydroxybenzamide
CID 115299483
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-chloro-5-methylbenzamide
CID 81315693
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-1-ethylpyrrole-2-carboxamide
CID 60813066
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-ethylthiophene-2-carboxamide
CID 79975351
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylimidazole-4-carboxamide
CID 103511822

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide (CID 62874149) is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cccc(C#CCN)n1.
What is the InChIKey of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is KQUUZTRIPSHOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-15-12(7-4-10-17-15)14(20)19-13-8-2-5-11(18-13)6-3-9-16/h2,4-5,7-8,10H,9,16H2,1H3,(H,18,19,20).
What are the key properties of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide?
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 62874149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).