N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

C21H23N7O3 — CID 121271891

IUPACN-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCC1COCCN1C(=O)CNc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N
InChIInChI=1S/C21H23N7O3/c1-13-12-31-5-4-28(13)20(29)11-25-16-6-15(8-23-17(16)7-22)18-9-26-19(10-24-18)27-21(30)14-2-3-14/h6,8-10,13-14,25H,2-5,11-12H2,1H3,(H,26,27,30)
InChIKeyOFSAJHQVIKCNBS-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.42
Rot. Bonds6

About N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121271891) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121271891
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC NameN-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCC1COCCN1C(=O)CNc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N
InChIInChI=1S/C21H23N7O3/c1-13-12-31-5-4-28(13)20(29)11-25-16-6-15(8-23-17(16)7-22)18-9-26-19(10-24-18)27-21(30)14-2-3-14/h6,8-10,13-14,25H,2-5,11-12H2,1H3,(H,26,27,30)
InChIKeyOFSAJHQVIKCNBS-UHFFFAOYSA-N
XLogP1.42
TPSA133.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121271891) is N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is CC1COCCN1C(=O)CNc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N.
What is the InChIKey of N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is OFSAJHQVIKCNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c1-13-12-31-5-4-28(13)20(29)11-25-16-6-15(8-23-17(16)7-22)18-9-26-19(10-24-18)27-21(30)14-2-3-14/h6,8-10,13-14,25H,2-5,11-12H2,1H3,(H,26,27,30).
What are the key properties of N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 421.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121271891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).