N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide

C18H25N5O — CID 56785557

IUPACN-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
SMILESCCc1cc(NC(C)C(=O)NC(C)CC)nc(-c2ccncc2)n1
InChIInChI=1S/C18H25N5O/c1-5-12(3)20-18(24)13(4)21-16-11-15(6-2)22-17(23-16)14-7-9-19-10-8-14/h7-13H,5-6H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyQHXFPTZQUVGCAK-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.82
Rot. Bonds7

About N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide

N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide (PubChem CID 56785557) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
PubChem CID56785557
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
SMILESCCc1cc(NC(C)C(=O)NC(C)CC)nc(-c2ccncc2)n1
InChIInChI=1S/C18H25N5O/c1-5-12(3)20-18(24)13(4)21-16-11-15(6-2)22-17(23-16)14-7-9-19-10-8-14/h7-13H,5-6H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyQHXFPTZQUVGCAK-UHFFFAOYSA-N
XLogP2.82
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide (CID 56785557) is N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide is CCc1cc(NC(C)C(=O)NC(C)CC)nc(-c2ccncc2)n1.
What is the InChIKey of N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide?
The InChIKey is QHXFPTZQUVGCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-5-12(3)20-18(24)13(4)21-16-11-15(6-2)22-17(23-16)14-7-9-19-10-8-14/h7-13H,5-6H2,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide?
N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 56785557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).