3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide

C19H26N4O2 — CID 133468788

IUPAC3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1cccc(CNc2nccnc2OC(C)C)c1
InChIInChI=1S/C19H26N4O2/c1-13(2)10-17(24)23-16-7-5-6-15(11-16)12-22-18-19(25-14(3)4)21-9-8-20-18/h5-9,11,13-14H,10,12H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyMDLIXPQOXHNGOW-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.86
Rot. Bonds8

About 3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide

3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide (PubChem CID 133468788) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide
PubChem CID133468788
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1cccc(CNc2nccnc2OC(C)C)c1
InChIInChI=1S/C19H26N4O2/c1-13(2)10-17(24)23-16-7-5-6-15(11-16)12-22-18-19(25-14(3)4)21-9-8-20-18/h5-9,11,13-14H,10,12H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyMDLIXPQOXHNGOW-UHFFFAOYSA-N
XLogP3.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide with MolForge

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Related Compounds

N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 133442683
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide
CID 133468780
2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 146096764
N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119301478
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide
CID 119745433
N-[3-[[(2-amino-2-phenylpropanoyl)amino]methyl]phenyl]-3-methylbutanamide
CID 120589998
N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide
CID 60589103
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]-3-methylbutanamide;hydroiodide
CID 110918783
N-[3-[[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-methylbutanamide;hydroiodide
CID 111868517
3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119440969

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide (CID 133468788) is 3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide is CC(C)CC(=O)Nc1cccc(CNc2nccnc2OC(C)C)c1.
What is the InChIKey of 3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide?
The InChIKey is MDLIXPQOXHNGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)10-17(24)23-16-7-5-6-15(11-16)12-22-18-19(25-14(3)4)21-9-8-20-18/h5-9,11,13-14H,10,12H2,1-4H3,(H,20,22)(H,23,24).
What are the key properties of 3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide?
3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide has a molecular weight of 342.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]butanamide is sourced from PubChem (CID 133468788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).