2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid

C13H17N3O2 — CID 114195473

IUPAC2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(NCC2(C3CC3)CC2)cn1
InChIInChI=1S/C13H17N3O2/c14-11-5-9(12(17)18)10(6-15-11)16-7-13(3-4-13)8-1-2-8/h5-6,8,16H,1-4,7H2,(H2,14,15)(H,17,18)
InChIKeyBRRSNFGGWNTFHO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.96
Rot. Bonds5

About 2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid

2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 114195473) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid
PubChem CID114195473
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid
SMILESNc1cc(C(=O)O)c(NCC2(C3CC3)CC2)cn1
InChIInChI=1S/C13H17N3O2/c14-11-5-9(12(17)18)10(6-15-11)16-7-13(3-4-13)8-1-2-8/h5-6,8,16H,1-4,7H2,(H2,14,15)(H,17,18)
InChIKeyBRRSNFGGWNTFHO-UHFFFAOYSA-N
XLogP1.96
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid (CID 114195473) is 2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid is Nc1cc(C(=O)O)c(NCC2(C3CC3)CC2)cn1.
What is the InChIKey of 2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is BRRSNFGGWNTFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-11-5-9(12(17)18)10(6-15-11)16-7-13(3-4-13)8-1-2-8/h5-6,8,16H,1-4,7H2,(H2,14,15)(H,17,18).
What are the key properties of 2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid?
2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 247.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114195473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).