3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide

C14H11FN4O — CID 107595336

IUPAC3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
SMILESNCC#Cc1cccnc1C(=O)Nc1ccncc1F
InChIInChI=1S/C14H11FN4O/c15-11-9-17-8-5-12(11)19-14(20)13-10(3-1-6-16)4-2-7-18-13/h2,4-5,7-9H,6,16H2,(H,17,19,20)
InChIKeyGVVQXCKDHXQGML-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.18
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide (PubChem CID 107595336) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
PubChem CID107595336
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
SMILESNCC#Cc1cccnc1C(=O)Nc1ccncc1F
InChIInChI=1S/C14H11FN4O/c15-11-9-17-8-5-12(11)19-14(20)13-10(3-1-6-16)4-2-7-18-13/h2,4-5,7-9H,6,16H2,(H,17,19,20)
InChIKeyGVVQXCKDHXQGML-UHFFFAOYSA-N
XLogP1.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.18
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

3-amino-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 107594913
3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 107523760
2-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)-5-methylbenzamide
CID 107595344
3-(3-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107523796
3-(3-aminoprop-1-ynyl)-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide
CID 107523480
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595348
N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107595323
3-(3-aminoprop-1-ynyl)-N-(3,5-dichlorophenyl)pyridine-2-carboxamide
CID 107523498
3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide
CID 107523549
3-(4-hydroxybut-1-ynyl)-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 107522429
3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide
CID 107523440
methyl 3-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107523903

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide (CID 107595336) is 3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide is NCC#Cc1cccnc1C(=O)Nc1ccncc1F.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide?
The InChIKey is GVVQXCKDHXQGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-11-9-17-8-5-12(11)19-14(20)13-10(3-1-6-16)4-2-7-18-13/h2,4-5,7-9H,6,16H2,(H,17,19,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide has a molecular weight of 270.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 107595336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).