[6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid

C14H13N3O3 — CID 175757670

IUPAC[6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid
SMILESCC(C(=O)c1ccc(NC(=O)O)cn1)c1ccccn1
InChIInChI=1S/C14H13N3O3/c1-9(11-4-2-3-7-15-11)13(18)12-6-5-10(8-16-12)17-14(19)20/h2-9,17H,1H3,(H,19,20)
InChIKeyFSEXEABOAHDUKS-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.55
Rot. Bonds4

About [6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid

[6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid (PubChem CID 175757670) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is [6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid
PubChem CID175757670
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name[6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid
SMILESCC(C(=O)c1ccc(NC(=O)O)cn1)c1ccccn1
InChIInChI=1S/C14H13N3O3/c1-9(11-4-2-3-7-15-11)13(18)12-6-5-10(8-16-12)17-14(19)20/h2-9,17H,1H3,(H,19,20)
InChIKeyFSEXEABOAHDUKS-UHFFFAOYSA-N
XLogP2.55
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-acetyl-3-pyridinyl)carbamic acid
CID 121318234
1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448942
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
N-phenyl-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179724
1-(3-methylfuran-2-yl)-2-pyridin-2-ylpropan-1-one
CID 66448939
1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one
CID 114821425
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
lithium 2-pyridin-2-ylpropanoate
CID 175058549
2-anilino-1-pyridin-2-ylpropan-1-one
CID 160887436
1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448162
2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one
CID 66447774

Frequently Asked Questions

What is the IUPAC name of [6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid?
The IUPAC name of [6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid (CID 175757670) is [6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid?
The canonical SMILES for [6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid is CC(C(=O)c1ccc(NC(=O)O)cn1)c1ccccn1.
What is the InChIKey of [6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid?
The InChIKey is FSEXEABOAHDUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9(11-4-2-3-7-15-11)13(18)12-6-5-10(8-16-12)17-14(19)20/h2-9,17H,1H3,(H,19,20).
What are the key properties of [6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid?
[6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid has a molecular weight of 271.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 175757670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).