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

C18H19N7O2 — CID 121272000

IUPACN-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)CNc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N
InChIInChI=1S/C18H19N7O2/c1-25(2)17(26)10-22-13-5-12(7-20-14(13)6-19)15-8-23-16(9-21-15)24-18(27)11-3-4-11/h5,7-9,11,22H,3-4,10H2,1-2H3,(H,23,24,27)
InChIKeyFBBLLHSXEVHUHT-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.26
Rot. Bonds6

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

N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121272000) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121272000
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)CNc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N
InChIInChI=1S/C18H19N7O2/c1-25(2)17(26)10-22-13-5-12(7-20-14(13)6-19)15-8-23-16(9-21-15)24-18(27)11-3-4-11/h5,7-9,11,22H,3-4,10H2,1-2H3,(H,23,24,27)
InChIKeyFBBLLHSXEVHUHT-UHFFFAOYSA-N
XLogP1.26
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121272000) is N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is CN(C)C(=O)CNc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N.
What is the InChIKey of N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is FBBLLHSXEVHUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-25(2)17(26)10-22-13-5-12(7-20-14(13)6-19)15-8-23-16(9-21-15)24-18(27)11-3-4-11/h5,7-9,11,22H,3-4,10H2,1-2H3,(H,23,24,27).
What are the key properties of N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 365.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-cyano-5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121272000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).