N,N-dimethyl-5-phosphanylpyridine-2-carboxamide

C8H11N2OP — CID 143916081

IUPACN,N-dimethyl-5-phosphanylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(P)cn1
InChIInChI=1S/C8H11N2OP/c1-10(2)8(11)7-4-3-6(12)5-9-7/h3-5H,12H2,1-2H3
InChIKeyPKOKKTUZKVRXHQ-UHFFFAOYSA-N
MW182.16 g/mol
LogP0.28
Rot. Bonds1

About N,N-dimethyl-5-phosphanylpyridine-2-carboxamide

N,N-dimethyl-5-phosphanylpyridine-2-carboxamide (PubChem CID 143916081) has the molecular formula C8H11N2OP and a molecular weight of 182.16 g/mol. Its IUPAC name is N,N-dimethyl-5-phosphanylpyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-phosphanylpyridine-2-carboxamide
PubChem CID143916081
Molecular FormulaC8H11N2OP
Molecular Weight182.16 g/mol
Exact Mass182.06
IUPAC NameN,N-dimethyl-5-phosphanylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(P)cn1
InChIInChI=1S/C8H11N2OP/c1-10(2)8(11)7-4-3-6(12)5-9-7/h3-5H,12H2,1-2H3
InChIKeyPKOKKTUZKVRXHQ-UHFFFAOYSA-N
XLogP0.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-phosphanylpyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-phosphanylpyridine-2-carboxamide (CID 143916081) is N,N-dimethyl-5-phosphanylpyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-phosphanylpyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-phosphanylpyridine-2-carboxamide is CN(C)C(=O)c1ccc(P)cn1.
What is the InChIKey of N,N-dimethyl-5-phosphanylpyridine-2-carboxamide?
The InChIKey is PKOKKTUZKVRXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2OP/c1-10(2)8(11)7-4-3-6(12)5-9-7/h3-5H,12H2,1-2H3.
What are the key properties of N,N-dimethyl-5-phosphanylpyridine-2-carboxamide?
N,N-dimethyl-5-phosphanylpyridine-2-carboxamide has a molecular weight of 182.16 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-phosphanylpyridine-2-carboxamide is sourced from PubChem (CID 143916081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).