N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide

C20H29N5O — CID 175913200

IUPACN-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide
SMILESCCc1ncc(Nc2cccc([C@H](C)CNC(=O)CNC)c2)nc1CC
InChIInChI=1S/C20H29N5O/c1-5-17-18(6-2)25-19(12-22-17)24-16-9-7-8-15(10-16)14(3)11-23-20(26)13-21-4/h7-10,12,14,21H,5-6,11,13H2,1-4H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyNPCUCPNFRSOTDI-CQSZACIVSA-N
MW355.49 g/mol
LogP2.78
Rot. Bonds9

About N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide

N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide (PubChem CID 175913200) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide
PubChem CID175913200
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide
SMILESCCc1ncc(Nc2cccc([C@H](C)CNC(=O)CNC)c2)nc1CC
InChIInChI=1S/C20H29N5O/c1-5-17-18(6-2)25-19(12-22-17)24-16-9-7-8-15(10-16)14(3)11-23-20(26)13-21-4/h7-10,12,14,21H,5-6,11,13H2,1-4H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyNPCUCPNFRSOTDI-CQSZACIVSA-N
XLogP2.78
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-5,6-diethylpyrazine-2-carboxamide
CID 174051108
3-[3-[(2R)-1-acetamidopropan-2-yl]anilino]-6-ethyl-5-(2-methylpropyl)pyrazine-2-carboxamide
CID 174053554
N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride
CID 119768749
tert-butyl N-[(2R)-2-[3-[[3-[amino(hydroxy)methyl]-6-chloro-5-ethylpyrazin-2-yl]amino]phenyl]propyl]carbamate
CID 168970557
3-[3-[(2R)-1-[[2-[[(E)-4-cyanobut-2-enoyl]-methylamino]acetyl]amino]propan-2-yl]anilino]-6-ethyl-5-propylpyrazine-2-carboxamide
CID 168970643
3-[3-[(2R)-1-aminopropan-2-yl]anilino]-6-ethyl-5-propan-2-ylpyrazine-2-carboxamide
CID 168970575
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80933742
N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide
CID 120704917
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide
CID 111659260

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide (CID 175913200) is N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide is CCc1ncc(Nc2cccc([C@H](C)CNC(=O)CNC)c2)nc1CC.
What is the InChIKey of N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide?
The InChIKey is NPCUCPNFRSOTDI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H29N5O/c1-5-17-18(6-2)25-19(12-22-17)24-16-9-7-8-15(10-16)14(3)11-23-20(26)13-21-4/h7-10,12,14,21H,5-6,11,13H2,1-4H3,(H,23,26)(H,24,25)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide?
N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide has a molecular weight of 355.49 g/mol, XLogP of 2.78, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[3-[(5,6-diethylpyrazin-2-yl)amino]phenyl]propyl]-2-(methylamino)acetamide is sourced from PubChem (CID 175913200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).