3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane

C22H35N5O — CID 142821686

IUPAC3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
SMILESCC.CC.CN1CCC(CNC(=O)c2nccnc2N)(c2ccccc2)CC1
InChIInChI=1S/C18H23N5O.2C2H6/c1-23-11-7-18(8-12-23,14-5-3-2-4-6-14)13-22-17(24)15-16(19)21-10-9-20-15;2*1-2/h2-6,9-10H,7-8,11-13H2,1H3,(H2,19,21)(H,22,24);2*1-2H3
InChIKeyOABCEVWXQCEAOH-UHFFFAOYSA-N
MW385.56 g/mol
LogP3.50
Rot. Bonds4

About 3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane

3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane (PubChem CID 142821686) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is 3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane.

Molecular Properties

Compound Name3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
PubChem CID142821686
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
SMILESCC.CC.CN1CCC(CNC(=O)c2nccnc2N)(c2ccccc2)CC1
InChIInChI=1S/C18H23N5O.2C2H6/c1-23-11-7-18(8-12-23,14-5-3-2-4-6-14)13-22-17(24)15-16(19)21-10-9-20-15;2*1-2/h2-6,9-10H,7-8,11-13H2,1H3,(H2,19,21)(H,22,24);2*1-2H3
InChIKeyOABCEVWXQCEAOH-UHFFFAOYSA-N
XLogP3.50
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 22240827
3-amino-N-[[1-(N'-cyanocarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 89126639
3-amino-N-[[1-(1-methylsulfanyl-2-nitroethenyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 76826294
3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91769760
2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide
CID 72873385
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 118790232
butane;formaldehyde;N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 143049208
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370
3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 56785863
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134127510
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
CID 119069555

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane?
The IUPAC name of 3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane (CID 142821686) is 3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane.
What is the SMILES notation for 3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane?
The canonical SMILES for 3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane is CC.CC.CN1CCC(CNC(=O)c2nccnc2N)(c2ccccc2)CC1.
What is the InChIKey of 3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane?
The InChIKey is OABCEVWXQCEAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O.2C2H6/c1-23-11-7-18(8-12-23,14-5-3-2-4-6-14)13-22-17(24)15-16(19)21-10-9-20-15;2*1-2/h2-6,9-10H,7-8,11-13H2,1H3,(H2,19,21)(H,22,24);2*1-2H3.
What are the key properties of 3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane?
3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane has a molecular weight of 385.56 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane is sourced from PubChem (CID 142821686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).