4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid

C14H19N3O4 — CID 115293169

IUPAC4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid
SMILESCc1cccnc1CNC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H19N3O4/c1-10-3-2-6-15-11(10)9-16-13(20)17-14(12(18)19)4-7-21-8-5-14/h2-3,6H,4-5,7-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyQXRJENYJPKUMSQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.82
Rot. Bonds4

About 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid

4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid (PubChem CID 115293169) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid
PubChem CID115293169
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid
SMILESCc1cccnc1CNC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H19N3O4/c1-10-3-2-6-15-11(10)9-16-13(20)17-14(12(18)19)4-7-21-8-5-14/h2-3,6H,4-5,7-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyQXRJENYJPKUMSQ-UHFFFAOYSA-N
XLogP0.82
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dimethylphenyl)carbamoylamino]oxane-4-carboxylic acid
CID 115292812
4-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293006
2-methyl-3-[(3-methyl-2-pyridinyl)methylcarbamoylamino]propanoic acid
CID 55205966
3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892061
4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 106528154
4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293009
1-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869384
4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292784
3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64890825
4-[(2-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 115291380
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55205773
4-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 115293095

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid (CID 115293169) is 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid is Cc1cccnc1CNC(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid?
The InChIKey is QXRJENYJPKUMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10-3-2-6-15-11(10)9-16-13(20)17-14(12(18)19)4-7-21-8-5-14/h2-3,6H,4-5,7-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid?
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 115293169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).