5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile

C17H18N4O — CID 133490921

IUPAC5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile
SMILESCc1ccc(CNc2cnc(C#N)cn2)c(OCC2CC2)c1
InChIInChI=1S/C17H18N4O/c1-12-2-5-14(16(6-12)22-11-13-3-4-13)8-20-17-10-19-15(7-18)9-21-17/h2,5-6,9-10,13H,3-4,8,11H2,1H3,(H,20,21)
InChIKeyKPQGJTNUJHVZIZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.06
Rot. Bonds6

About 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile

5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 133490921) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile
PubChem CID133490921
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile
SMILESCc1ccc(CNc2cnc(C#N)cn2)c(OCC2CC2)c1
InChIInChI=1S/C17H18N4O/c1-12-2-5-14(16(6-12)22-11-13-3-4-13)8-20-17-10-19-15(7-18)9-21-17/h2,5-6,9-10,13H,3-4,8,11H2,1H3,(H,20,21)
InChIKeyKPQGJTNUJHVZIZ-UHFFFAOYSA-N
XLogP3.06
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490946
5-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491288
5-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133491293
6-[[4-methyl-2-[[(3S)-oxolan-3-yl]methoxy]phenyl]methylamino]pyridine-3-carbonitrile
CID 97070107
5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 107413331
5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile
CID 133347394
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile
CID 133419821
5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 42610357
5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147807
5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119159652
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]urea
CID 97055333

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile (CID 133490921) is 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile is Cc1ccc(CNc2cnc(C#N)cn2)c(OCC2CC2)c1.
What is the InChIKey of 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is KPQGJTNUJHVZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-2-5-14(16(6-12)22-11-13-3-4-13)8-20-17-10-19-15(7-18)9-21-17/h2,5-6,9-10,13H,3-4,8,11H2,1H3,(H,20,21).
What are the key properties of 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile?
5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133490921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).