N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide

C21H26N6O2 — CID 136546870

IUPACN-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide
SMILESCC(=O)N(c1ccc(NC(=O)N2CCN(c3nccnc3C)CC2)cc1)C1CC1
InChIInChI=1S/C21H26N6O2/c1-15-20(23-10-9-22-15)25-11-13-26(14-12-25)21(29)24-17-3-5-18(6-4-17)27(16(2)28)19-7-8-19/h3-6,9-10,19H,7-8,11-14H2,1-2H3,(H,24,29)
InChIKeyJSNUNLAEJRGONE-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.65
Rot. Bonds4

About N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide

N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide (PubChem CID 136546870) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide
PubChem CID136546870
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide
SMILESCC(=O)N(c1ccc(NC(=O)N2CCN(c3nccnc3C)CC2)cc1)C1CC1
InChIInChI=1S/C21H26N6O2/c1-15-20(23-10-9-22-15)25-11-13-26(14-12-25)21(29)24-17-3-5-18(6-4-17)27(16(2)28)19-7-8-19/h3-6,9-10,19H,7-8,11-14H2,1-2H3,(H,24,29)
InChIKeyJSNUNLAEJRGONE-UHFFFAOYSA-N
XLogP2.65
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-1-[[4-[acetyl(cyclopropyl)amino]phenyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122094374
N-[4-[acetyl(cyclopropyl)amino]phenyl]cyclopropanecarboxamide
CID 113094031
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide
CID 113094036
N-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 113094101
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
CID 166320382
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide (CID 136546870) is N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide is CC(=O)N(c1ccc(NC(=O)N2CCN(c3nccnc3C)CC2)cc1)C1CC1.
What is the InChIKey of N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide?
The InChIKey is JSNUNLAEJRGONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15-20(23-10-9-22-15)25-11-13-26(14-12-25)21(29)24-17-3-5-18(6-4-17)27(16(2)28)19-7-8-19/h3-6,9-10,19H,7-8,11-14H2,1-2H3,(H,24,29).
What are the key properties of N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide?
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 136546870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).