5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide

C18H25N7O — CID 167821814

IUPAC5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide
SMILESCCN(CC)c1ncc(-c2cnc(C(=O)NC3CCNCC3)cn2)cn1
InChIInChI=1S/C18H25N7O/c1-3-25(4-2)18-22-9-13(10-23-18)15-11-21-16(12-20-15)17(26)24-14-5-7-19-8-6-14/h9-12,14,19H,3-8H2,1-2H3,(H,24,26)
InChIKeyXTHPQIYTMIYWJN-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.26
Rot. Bonds6

About 5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide

5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide (PubChem CID 167821814) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide
PubChem CID167821814
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide
SMILESCCN(CC)c1ncc(-c2cnc(C(=O)NC3CCNCC3)cn2)cn1
InChIInChI=1S/C18H25N7O/c1-3-25(4-2)18-22-9-13(10-23-18)15-11-21-16(12-20-15)17(26)24-14-5-7-19-8-6-14/h9-12,14,19H,3-8H2,1-2H3,(H,24,26)
InChIKeyXTHPQIYTMIYWJN-UHFFFAOYSA-N
XLogP1.26
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2R)-2-methyl-2,3-dihydro-1H-indol-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide
CID 167969429
5-bromo-N-piperidin-4-ylpyrazine-2-carboxamide
CID 112531060
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032
5-cyano-4-methoxy-N-piperidin-4-ylpyridine-2-carboxamide;ethane
CID 145096174
5-propanoyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 177042514
5-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166250475
5-(2-chloro-3-cyanophenyl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide
CID 166300624
N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23113297
5-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109182187
5-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-pyrrolidin-3-ylpyrazine-2-carboxamide
CID 167758247
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109271738
5-[(3-methylcyclobutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120689052

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide?
The IUPAC name of 5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide (CID 167821814) is 5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide is CCN(CC)c1ncc(-c2cnc(C(=O)NC3CCNCC3)cn2)cn1.
What is the InChIKey of 5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide?
The InChIKey is XTHPQIYTMIYWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-3-25(4-2)18-22-9-13(10-23-18)15-11-21-16(12-20-15)17(26)24-14-5-7-19-8-6-14/h9-12,14,19H,3-8H2,1-2H3,(H,24,26).
What are the key properties of 5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide?
5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)pyrimidin-5-yl]-N-piperidin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 167821814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).