4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile

C11H11N3 — CID 106230805

IUPAC4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile
SMILESC#CC(CC)Nc1ccnc(C#N)c1
InChIInChI=1S/C11H11N3/c1-3-9(4-2)14-10-5-6-13-11(7-10)8-12/h1,5-7,9H,4H2,2H3,(H,13,14)
InChIKeyJFBQBPGRPPCFTR-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.78
Rot. Bonds3

About 4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile

4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile (PubChem CID 106230805) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile
PubChem CID106230805
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile
SMILESC#CC(CC)Nc1ccnc(C#N)c1
InChIInChI=1S/C11H11N3/c1-3-9(4-2)14-10-5-6-13-11(7-10)8-12/h1,5-7,9H,4H2,2H3,(H,13,14)
InChIKeyJFBQBPGRPPCFTR-UHFFFAOYSA-N
XLogP1.78
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-pent-1-yn-3-ylpyridin-4-amine
CID 106232773
2-fluoro-4-(pent-1-yn-3-ylamino)benzonitrile
CID 106230801
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
4-(octan-2-ylamino)pyridine-2-carbonitrile
CID 62924662
N,N-diethyl-4-(pent-1-yn-3-ylamino)pyridine-2-carboxamide
CID 106231329
ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate
CID 62925360
4-(1-phenylethylamino)pyridine-2-carbonitrile
CID 62925339
3-[(2-cyano-4-pyridinyl)amino]butanoic acid
CID 62926548
2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103110286
2-[(2-cyano-4-pyridinyl)amino]propanamide
CID 62926737
4-(1-hydroxypropyl)pyridine-2-carbonitrile
CID 170592928
4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile
CID 64596884

Frequently Asked Questions

What is the IUPAC name of 4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile (CID 106230805) is 4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile is C#CC(CC)Nc1ccnc(C#N)c1.
What is the InChIKey of 4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile?
The InChIKey is JFBQBPGRPPCFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-3-9(4-2)14-10-5-6-13-11(7-10)8-12/h1,5-7,9H,4H2,2H3,(H,13,14).
What are the key properties of 4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile?
4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 106230805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).