4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile

C19H23N5O3 — CID 44596700

IUPAC4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile
SMILESCOC[C@H](C1CC1)n1cc(C#N)nc(Nc2cc(C)c(OC)nc2C)c1=O
InChIInChI=1S/C19H23N5O3/c1-11-7-15(12(2)21-18(11)27-4)23-17-19(25)24(9-14(8-20)22-17)16(10-26-3)13-5-6-13/h7,9,13,16H,5-6,10H2,1-4H3,(H,22,23)/t16-/m1/s1
InChIKeyGATWWAXZRLFSLI-MRXNPFEDSA-N
MW369.43 g/mol
LogP2.48
Rot. Bonds7

About 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile

4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile (PubChem CID 44596700) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile.

Molecular Properties

Compound Name4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile
PubChem CID44596700
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile
SMILESCOC[C@H](C1CC1)n1cc(C#N)nc(Nc2cc(C)c(OC)nc2C)c1=O
InChIInChI=1S/C19H23N5O3/c1-11-7-15(12(2)21-18(11)27-4)23-17-19(25)24(9-14(8-20)22-17)16(10-26-3)13-5-6-13/h7,9,13,16H,5-6,10H2,1-4H3,(H,22,23)/t16-/m1/s1
InChIKeyGATWWAXZRLFSLI-MRXNPFEDSA-N
XLogP2.48
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile?
The IUPAC name of 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile (CID 44596700) is 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile.
What is the SMILES notation for 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile?
The canonical SMILES for 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile is COC[C@H](C1CC1)n1cc(C#N)nc(Nc2cc(C)c(OC)nc2C)c1=O.
What is the InChIKey of 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile?
The InChIKey is GATWWAXZRLFSLI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11-7-15(12(2)21-18(11)27-4)23-17-19(25)24(9-14(8-20)22-17)16(10-26-3)13-5-6-13/h7,9,13,16H,5-6,10H2,1-4H3,(H,22,23)/t16-/m1/s1.
What are the key properties of 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile?
4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile has a molecular weight of 369.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile is sourced from PubChem (CID 44596700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).