N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

C20H23N7O2 — CID 121272032

IUPACN-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCCC(Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)ncc1C#N)C(=O)N(C)C
InChIInChI=1S/C20H23N7O2/c1-4-14(20(29)27(2)3)25-15-7-16(22-9-13(15)8-21)17-10-24-18(11-23-17)26-19(28)12-5-6-12/h7,9-12,14H,4-6H2,1-3H3,(H,22,25)(H,24,26,28)
InChIKeySHLRBIVZKAAIQD-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.04
Rot. Bonds7

About N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121272032) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121272032
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCCC(Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)ncc1C#N)C(=O)N(C)C
InChIInChI=1S/C20H23N7O2/c1-4-14(20(29)27(2)3)25-15-7-16(22-9-13(15)8-21)17-10-24-18(11-23-17)26-19(28)12-5-6-12/h7,9-12,14H,4-6H2,1-3H3,(H,22,25)(H,24,26,28)
InChIKeySHLRBIVZKAAIQD-UHFFFAOYSA-N
XLogP2.04
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121272032) is N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is CCC(Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)ncc1C#N)C(=O)N(C)C.
What is the InChIKey of N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is SHLRBIVZKAAIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-4-14(20(29)27(2)3)25-15-7-16(22-9-13(15)8-21)17-10-24-18(11-23-17)26-19(28)12-5-6-12/h7,9-12,14H,4-6H2,1-3H3,(H,22,25)(H,24,26,28).
What are the key properties of N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-cyano-4-[[1-(dimethylamino)-1-oxobutan-2-yl]amino]-2-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121272032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).