N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C19H23N7O2 — CID 165415340

IUPACN-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)CC1
InChIInChI=1S/C19H23N7O2/c1-12(27)26-6-4-14(5-7-26)24-19(28)17-18(23-15-8-20-11-21-9-15)22-10-16(25-17)13-2-3-13/h8-11,13-14H,2-7H2,1H3,(H,22,23)(H,24,28)
InChIKeyLQJKTPWPUDZWLV-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.63
Rot. Bonds5

About N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415340) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415340
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)CC1
InChIInChI=1S/C19H23N7O2/c1-12(27)26-6-4-14(5-7-26)24-19(28)17-18(23-15-8-20-11-21-9-15)22-10-16(25-17)13-2-3-13/h8-11,13-14H,2-7H2,1H3,(H,22,23)(H,24,28)
InChIKeyLQJKTPWPUDZWLV-UHFFFAOYSA-N
XLogP1.63
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415340) is N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(=O)N1CCC(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is LQJKTPWPUDZWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-12(27)26-6-4-14(5-7-26)24-19(28)17-18(23-15-8-20-11-21-9-15)22-10-16(25-17)13-2-3-13/h8-11,13-14H,2-7H2,1H3,(H,22,23)(H,24,28).
What are the key properties of N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).