N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide

C21H26N6O2 — CID 92549440

IUPACN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2cc(CCNC(=O)c3ccccn3)nc(C3CC3)n2)CC1
InChIInChI=1S/C21H26N6O2/c1-15(28)26-10-12-27(13-11-26)19-14-17(24-20(25-19)16-5-6-16)7-9-23-21(29)18-4-2-3-8-22-18/h2-4,8,14,16H,5-7,9-13H2,1H3,(H,23,29)
InChIKeyYWKPPWNROKKJKK-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.39
Rot. Bonds6

About N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide

N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide (PubChem CID 92549440) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide
PubChem CID92549440
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2cc(CCNC(=O)c3ccccn3)nc(C3CC3)n2)CC1
InChIInChI=1S/C21H26N6O2/c1-15(28)26-10-12-27(13-11-26)19-14-17(24-20(25-19)16-5-6-16)7-9-23-21(29)18-4-2-3-8-22-18/h2-4,8,14,16H,5-7,9-13H2,1H3,(H,23,29)
InChIKeyYWKPPWNROKKJKK-UHFFFAOYSA-N
XLogP1.39
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide (CID 92549440) is N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide is CC(=O)N1CCN(c2cc(CCNC(=O)c3ccccn3)nc(C3CC3)n2)CC1.
What is the InChIKey of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is YWKPPWNROKKJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15(28)26-10-12-27(13-11-26)19-14-17(24-20(25-19)16-5-6-16)7-9-23-21(29)18-4-2-3-8-22-18/h2-4,8,14,16H,5-7,9-13H2,1H3,(H,23,29).
What are the key properties of N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide?
N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 92549440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).