6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide

C12H15N3O — CID 115657823

IUPAC6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide
SMILESC#CCC(CC)Nc1ccc(C(N)=O)cn1
InChIInChI=1S/C12H15N3O/c1-3-5-10(4-2)15-11-7-6-9(8-14-11)12(13)16/h1,6-8,10H,4-5H2,2H3,(H2,13,16)(H,14,15)
InChIKeyBLWLBQTYCDEIGN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.39
Rot. Bonds5

About 6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide

6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide (PubChem CID 115657823) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide
PubChem CID115657823
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide
SMILESC#CCC(CC)Nc1ccc(C(N)=O)cn1
InChIInChI=1S/C12H15N3O/c1-3-5-10(4-2)15-11-7-6-9(8-14-11)12(13)16/h1,6-8,10H,4-5H2,2H3,(H2,13,16)(H,14,15)
InChIKeyBLWLBQTYCDEIGN-UHFFFAOYSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-hex-5-yn-3-ylpyridin-2-amine
CID 115658807
6-(1-aminopropan-2-ylamino)pyridine-3-carboxamide
CID 63732982
6-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 79003427
N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide
CID 78956363
6-[(1-hydroxy-3-phenylpropan-2-yl)amino]pyridine-3-carboxamide
CID 78998923
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]hexanoic acid
CID 122062714
6-(2-ethylhydrazinyl)pyridine-3-carboxamide
CID 125451625
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122050028
6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 78997302
6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide
CID 112722842
6-hydrazinyl-N-pentan-3-ylpyridine-3-carboxamide
CID 62247178
6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 114161515

Frequently Asked Questions

What is the IUPAC name of 6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide (CID 115657823) is 6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide is C#CCC(CC)Nc1ccc(C(N)=O)cn1.
What is the InChIKey of 6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide?
The InChIKey is BLWLBQTYCDEIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-5-10(4-2)15-11-7-6-9(8-14-11)12(13)16/h1,6-8,10H,4-5H2,2H3,(H2,13,16)(H,14,15).
What are the key properties of 6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide?
6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hex-5-yn-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 115657823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).