4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile

C19H25N5O2 — CID 90755263

IUPAC4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile
SMILESCOCC(C1CC1)N1CC(C#N)N=C(Nc2cc(C)c(C)nc2C)C1=O
InChIInChI=1S/C19H25N5O2/c1-11-7-16(13(3)21-12(11)2)23-18-19(25)24(9-15(8-20)22-18)17(10-26-4)14-5-6-14/h7,14-15,17H,5-6,9-10H2,1-4H3,(H,22,23)
InChIKeyKSRXRDWPEMIQNP-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.98
Rot. Bonds5

About 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile

4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile (PubChem CID 90755263) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile.

Molecular Properties

Compound Name4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile
PubChem CID90755263
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile
SMILESCOCC(C1CC1)N1CC(C#N)N=C(Nc2cc(C)c(C)nc2C)C1=O
InChIInChI=1S/C19H25N5O2/c1-11-7-16(13(3)21-12(11)2)23-18-19(25)24(9-15(8-20)22-18)17(10-26-4)14-5-6-14/h7,14-15,17H,5-6,9-10H2,1-4H3,(H,22,23)
InChIKeyKSRXRDWPEMIQNP-UHFFFAOYSA-N
XLogP1.98
TPSA90.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile with MolForge

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Related Compounds

(R)-5-chloro-1-(1-cyclopropylethyl)-3-(2,4,6-trimethylpyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881745
N-[[6-amino-5-[3-(cyclopropylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide
CID 53659091
N-[[6-amino-5-[3-(cyclopropylmethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide
CID 54179783
N-[[6-amino-5-[3-(2-cyclopropylethylamino)-6-methyl-2-oxopyrazin-1-yl]-2-methyl-3-pyridinyl]methyl]acetamide
CID 54497081
4-[(1R)-1-cyclopropylpropyl]-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile
CID 58337887
N-[[6-amino-2-methyl-5-[6-methyl-3-(2-morpholin-4-ylethylamino)-2-oxopyrazin-1-yl]-3-pyridinyl]methyl]acetamide
CID 70197656
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 71164541
5-Bromo-1-(1-cyclopropyl-2-methoxyethyl)-4-methyl-3-[(2,5,6-trimethyl-3-pyridinyl)amino]piperazin-2-one
CID 90688005
5-Chloro-1-(2-cyclopropyl-3-methoxypropyl)-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-2-one
CID 90780236
5-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-[[(2,5,6-trimethyl-3-pyridinyl)amino]methyl]pyrazin-2-one
CID 90836566
4-(1-Cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazine-2-carbonitrile
CID 90882621
[2-[5-chloro-2-oxo-3-[(2,5,6-trimethyl-3-pyridinyl)amino]pyrazin-1-yl]-2-cyclopropylethyl] N-(2-methylcyclohexa-1,5-dien-1-yl)carbamate
CID 91133255

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile?
The IUPAC name of 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile (CID 90755263) is 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile.
What is the SMILES notation for 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile?
The canonical SMILES for 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile is COCC(C1CC1)N1CC(C#N)N=C(Nc2cc(C)c(C)nc2C)C1=O.
What is the InChIKey of 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile?
The InChIKey is KSRXRDWPEMIQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-11-7-16(13(3)21-12(11)2)23-18-19(25)24(9-15(8-20)22-18)17(10-26-4)14-5-6-14/h7,14-15,17H,5-6,9-10H2,1-4H3,(H,22,23).
What are the key properties of 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile?
4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile has a molecular weight of 355.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-2-methoxyethyl)-5-oxo-6-[(2,5,6-trimethyl-3-pyridinyl)amino]-2,3-dihydropyrazine-2-carbonitrile is sourced from PubChem (CID 90755263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).