N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide

C12H13N5O — CID 123796737

IUPACN-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(N(C)c2cncnc2)c1
InChIInChI=1S/C12H13N5O/c1-9(18)16-10-3-11(5-13-4-10)17(2)12-6-14-8-15-7-12/h3-8H,1-2H3,(H,16,18)
InChIKeyWJJSTVKNDJSACH-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.60
Rot. Bonds3

About N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide

N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide (PubChem CID 123796737) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide
PubChem CID123796737
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cncc(N(C)c2cncnc2)c1
InChIInChI=1S/C12H13N5O/c1-9(18)16-10-3-11(5-13-4-10)17(2)12-6-14-8-15-7-12/h3-8H,1-2H3,(H,16,18)
InChIKeyWJJSTVKNDJSACH-UHFFFAOYSA-N
XLogP1.60
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide?
The IUPAC name of N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide (CID 123796737) is N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide is CC(=O)Nc1cncc(N(C)c2cncnc2)c1.
What is the InChIKey of N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide?
The InChIKey is WJJSTVKNDJSACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-9(18)16-10-3-11(5-13-4-10)17(2)12-6-14-8-15-7-12/h3-8H,1-2H3,(H,16,18).
What are the key properties of N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide?
N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide has a molecular weight of 243.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 123796737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).