2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide

C16H16N6O — CID 137350817

IUPAC2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide
SMILESCC(C)(Nc1nc(-c2ccncc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C16H16N6O/c1-16(2,15(17)23)22-14-11-5-8-19-9-12(11)20-13(21-14)10-3-6-18-7-4-10/h3-9H,1-2H3,(H2,17,23)(H,20,21,22)
InChIKeyUONGWIKGFYVPKT-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.76
Rot. Bonds4

About 2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide

2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 137350817) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide
PubChem CID137350817
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide
SMILESCC(C)(Nc1nc(-c2ccncc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C16H16N6O/c1-16(2,15(17)23)22-14-11-5-8-19-9-12(11)20-13(21-14)10-3-6-18-7-4-10/h3-9H,1-2H3,(H2,17,23)(H,20,21,22)
InChIKeyUONGWIKGFYVPKT-UHFFFAOYSA-N
XLogP1.76
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide (CID 137350817) is 2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide is CC(C)(Nc1nc(-c2ccncc2)nc2cnccc12)C(N)=O.
What is the InChIKey of 2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is UONGWIKGFYVPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-16(2,15(17)23)22-14-11-5-8-19-9-12(11)20-13(21-14)10-3-6-18-7-4-10/h3-9H,1-2H3,(H2,17,23)(H,20,21,22).
What are the key properties of 2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide?
2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 308.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 137350817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).