3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one

C9H13N3O — CID 130623515

IUPAC3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one
SMILESNc1c[nH]cc([C@H](N)C2CC2)c1=O
InChIInChI=1S/C9H13N3O/c10-7-4-12-3-6(9(7)13)8(11)5-1-2-5/h3-5,8H,1-2,10-11H2,(H,12,13)/t8-/m1/s1
InChIKeyGLQWLIMLNNMCGH-MRVPVSSYSA-N
MW179.22 g/mol
LogP0.37
Rot. Bonds2

About 3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one

3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one (PubChem CID 130623515) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one
PubChem CID130623515
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one
SMILESNc1c[nH]cc([C@H](N)C2CC2)c1=O
InChIInChI=1S/C9H13N3O/c10-7-4-12-3-6(9(7)13)8(11)5-1-2-5/h3-5,8H,1-2,10-11H2,(H,12,13)/t8-/m1/s1
InChIKeyGLQWLIMLNNMCGH-MRVPVSSYSA-N
XLogP0.37
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one?
The IUPAC name of 3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one (CID 130623515) is 3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one?
The canonical SMILES for 3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one is Nc1c[nH]cc([C@H](N)C2CC2)c1=O.
What is the InChIKey of 3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one?
The InChIKey is GLQWLIMLNNMCGH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-7-4-12-3-6(9(7)13)8(11)5-1-2-5/h3-5,8H,1-2,10-11H2,(H,12,13)/t8-/m1/s1.
What are the key properties of 3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one?
3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one is sourced from PubChem (CID 130623515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).