5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide

C12H19N5O2 — CID 55005406

IUPAC5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide
SMILESCC(C)NC(=O)CN(C)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H19N5O2/c1-7(2)16-10(18)6-17(3)12-9(11(14)19)4-8(13)5-15-12/h4-5,7H,6,13H2,1-3H3,(H2,14,19)(H,16,18)
InChIKeyTWONIRHCORIPGY-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.28
Rot. Bonds5

About 5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide

5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide (PubChem CID 55005406) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide
PubChem CID55005406
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide
SMILESCC(C)NC(=O)CN(C)c1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H19N5O2/c1-7(2)16-10(18)6-17(3)12-9(11(14)19)4-8(13)5-15-12/h4-5,7H,6,13H2,1-3H3,(H2,14,19)(H,16,18)
InChIKeyTWONIRHCORIPGY-UHFFFAOYSA-N
XLogP-0.28
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide (CID 55005406) is 5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide is CC(C)NC(=O)CN(C)c1ncc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide?
The InChIKey is TWONIRHCORIPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-7(2)16-10(18)6-17(3)12-9(11(14)19)4-8(13)5-15-12/h4-5,7H,6,13H2,1-3H3,(H2,14,19)(H,16,18).
What are the key properties of 5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide?
5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 55005406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).