6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide

C12H16N4O3 — CID 167876369

IUPAC6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)NCC2CCCO2)n1
InChIInChI=1S/C12H16N4O3/c13-11(17)9-4-1-5-10(15-9)16-12(18)14-7-8-3-2-6-19-8/h1,4-5,8H,2-3,6-7H2,(H2,13,17)(H2,14,15,16,18)
InChIKeyKUYPWUGCUUEPMO-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.48
Rot. Bonds4

About 6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide

6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide (PubChem CID 167876369) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide
PubChem CID167876369
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)NCC2CCCO2)n1
InChIInChI=1S/C12H16N4O3/c13-11(17)9-4-1-5-10(15-9)16-12(18)14-7-8-3-2-6-19-8/h1,4-5,8H,2-3,6-7H2,(H2,13,17)(H2,14,15,16,18)
InChIKeyKUYPWUGCUUEPMO-UHFFFAOYSA-N
XLogP0.48
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
6-hydrazinyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 62237897
6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
CID 94378458
1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812547
1-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032264
1-(1,3-dioxan-2-ylmethyl)-3-(6-methyl-2-pyridinyl)urea
CID 127265841
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-(2-iodophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47193009
1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47237171
1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 20974342
1-(1-benzylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94182642
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide?
The IUPAC name of 6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide (CID 167876369) is 6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide is NC(=O)c1cccc(NC(=O)NCC2CCCO2)n1.
What is the InChIKey of 6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide?
The InChIKey is KUYPWUGCUUEPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-11(17)9-4-1-5-10(15-9)16-12(18)14-7-8-3-2-6-19-8/h1,4-5,8H,2-3,6-7H2,(H2,13,17)(H2,14,15,16,18).
What are the key properties of 6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide?
6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide is sourced from PubChem (CID 167876369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).