N-prop-2-ynyl-N-pyridin-2-ylformamide

C9H8N2O — CID 14113969

IUPACN-prop-2-ynyl-N-pyridin-2-ylformamide
SMILESC#CCN(C=O)c1ccccn1
InChIInChI=1S/C9H8N2O/c1-2-7-11(8-12)9-5-3-4-6-10-9/h1,3-6,8H,7H2
InChIKeySVPOIKXKISISLC-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.68
Rot. Bonds3

About N-prop-2-ynyl-N-pyridin-2-ylformamide

N-prop-2-ynyl-N-pyridin-2-ylformamide (PubChem CID 14113969) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is N-prop-2-ynyl-N-pyridin-2-ylformamide.

Molecular Properties

Compound NameN-prop-2-ynyl-N-pyridin-2-ylformamide
PubChem CID14113969
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC NameN-prop-2-ynyl-N-pyridin-2-ylformamide
SMILESC#CCN(C=O)c1ccccn1
InChIInChI=1S/C9H8N2O/c1-2-7-11(8-12)9-5-3-4-6-10-9/h1,3-6,8H,7H2
InChIKeySVPOIKXKISISLC-UHFFFAOYSA-N
XLogP0.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(sulfanyl)pyridin-2-amine
CID 89305053
N-phenyl-N-(pyridin-2-ylmethyl)formamide
CID 59806637
N-methyl-N-propylpyridin-2-amine;hydrochloride
CID 69422308
2-[prop-2-ynyl-(2-pyridin-2-ylacetyl)amino]acetic acid
CID 79274079
N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102448353
N-(2-aminophenyl)-N-pyridin-2-ylformamide
CID 87172715
2-pyridin-2-ylpent-4-ynal
CID 89142381
N,N-dipyridin-2-ylmethanimidamide
CID 90773673
N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 175013921
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 91581925
1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride
CID 135341648

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-N-pyridin-2-ylformamide?
The IUPAC name of N-prop-2-ynyl-N-pyridin-2-ylformamide (CID 14113969) is N-prop-2-ynyl-N-pyridin-2-ylformamide.
What is the SMILES notation for N-prop-2-ynyl-N-pyridin-2-ylformamide?
The canonical SMILES for N-prop-2-ynyl-N-pyridin-2-ylformamide is C#CCN(C=O)c1ccccn1.
What is the InChIKey of N-prop-2-ynyl-N-pyridin-2-ylformamide?
The InChIKey is SVPOIKXKISISLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-2-7-11(8-12)9-5-3-4-6-10-9/h1,3-6,8H,7H2.
What are the key properties of N-prop-2-ynyl-N-pyridin-2-ylformamide?
N-prop-2-ynyl-N-pyridin-2-ylformamide has a molecular weight of 160.18 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-N-pyridin-2-ylformamide is sourced from PubChem (CID 14113969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).