5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid

C15H21N3O3 — CID 79361812

IUPAC5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid
SMILESCC1(C)C(CNC(=O)Nc2cncc(C(=O)O)c2)C1(C)C
InChIInChI=1S/C15H21N3O3/c1-14(2)11(15(14,3)4)8-17-13(21)18-10-5-9(12(19)20)6-16-7-10/h5-7,11H,8H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyMDZALISUNMTPNK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.58
Rot. Bonds4

About 5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid

5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid (PubChem CID 79361812) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid
PubChem CID79361812
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid
SMILESCC1(C)C(CNC(=O)Nc2cncc(C(=O)O)c2)C1(C)C
InChIInChI=1S/C15H21N3O3/c1-14(2)11(15(14,3)4)8-17-13(21)18-10-5-9(12(19)20)6-16-7-10/h5-7,11H,8H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyMDZALISUNMTPNK-UHFFFAOYSA-N
XLogP2.58
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
CID 114618025
5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158025
5-(pent-4-ynylcarbamoylamino)pyridine-3-carboxylic acid
CID 106222767
5-[4-(dimethylamino)butylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157813
5-(2-methylsulfonylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63157485
5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63824516
5-[2-(methanesulfonamido)ethylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157529
5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63957326
5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63158193
5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157990
5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158039
5-(2-cyclopentyloxyethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63833702

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid (CID 79361812) is 5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid is CC1(C)C(CNC(=O)Nc2cncc(C(=O)O)c2)C1(C)C.
What is the InChIKey of 5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid?
The InChIKey is MDZALISUNMTPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-14(2)11(15(14,3)4)8-17-13(21)18-10-5-9(12(19)20)6-16-7-10/h5-7,11H,8H2,1-4H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid?
5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 79361812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).