1-propyl-2H-pyridine-5-carboxamide

C9H14N2O — CID 19964269

IUPAC1-propyl-2H-pyridine-5-carboxamide
SMILESCCCN1C=C(C(N)=O)C=CC1
InChIInChI=1S/C9H14N2O/c1-2-5-11-6-3-4-8(7-11)9(10)12/h3-4,7H,2,5-6H2,1H3,(H2,10,12)
InChIKeyHKDPMMIEYPNEOE-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.64
Rot. Bonds3

About 1-propyl-2H-pyridine-5-carboxamide

1-propyl-2H-pyridine-5-carboxamide (PubChem CID 19964269) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-propyl-2H-pyridine-5-carboxamide.

Molecular Properties

Compound Name1-propyl-2H-pyridine-5-carboxamide
PubChem CID19964269
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-propyl-2H-pyridine-5-carboxamide
SMILESCCCN1C=C(C(N)=O)C=CC1
InChIInChI=1S/C9H14N2O/c1-2-5-11-6-3-4-8(7-11)9(10)12/h3-4,7H,2,5-6H2,1H3,(H2,10,12)
InChIKeyHKDPMMIEYPNEOE-UHFFFAOYSA-N
XLogP0.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-2H-pyridine-5-carboxamide?
The IUPAC name of 1-propyl-2H-pyridine-5-carboxamide (CID 19964269) is 1-propyl-2H-pyridine-5-carboxamide.
What is the SMILES notation for 1-propyl-2H-pyridine-5-carboxamide?
The canonical SMILES for 1-propyl-2H-pyridine-5-carboxamide is CCCN1C=C(C(N)=O)C=CC1.
What is the InChIKey of 1-propyl-2H-pyridine-5-carboxamide?
The InChIKey is HKDPMMIEYPNEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-5-11-6-3-4-8(7-11)9(10)12/h3-4,7H,2,5-6H2,1H3,(H2,10,12).
What are the key properties of 1-propyl-2H-pyridine-5-carboxamide?
1-propyl-2H-pyridine-5-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2H-pyridine-5-carboxamide is sourced from PubChem (CID 19964269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).