N-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

C19H18N8O2 — CID 121271970

IUPACN-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCC(C#N)NC(=O)CNc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N
InChIInChI=1S/C19H18N8O2/c1-11(5-20)26-18(28)10-24-14-4-13(7-22-15(14)6-21)16-8-25-17(9-23-16)27-19(29)12-2-3-12/h4,7-9,11-12,24H,2-3,10H2,1H3,(H,26,28)(H,25,27,29)
InChIKeyVZAGYYNBFDSOHQ-UHFFFAOYSA-N
MW390.41 g/mol
LogP1.20
Rot. Bonds7

About N-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121271970) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121271970
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCC(C#N)NC(=O)CNc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N
InChIInChI=1S/C19H18N8O2/c1-11(5-20)26-18(28)10-24-14-4-13(7-22-15(14)6-21)16-8-25-17(9-23-16)27-19(29)12-2-3-12/h4,7-9,11-12,24H,2-3,10H2,1H3,(H,26,28)(H,25,27,29)
InChIKeyVZAGYYNBFDSOHQ-UHFFFAOYSA-N
XLogP1.20
TPSA156.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121271970) is N-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is CC(C#N)NC(=O)CNc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N.
What is the InChIKey of N-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is VZAGYYNBFDSOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-11(5-20)26-18(28)10-24-14-4-13(7-22-15(14)6-21)16-8-25-17(9-23-16)27-19(29)12-2-3-12/h4,7-9,11-12,24H,2-3,10H2,1H3,(H,26,28)(H,25,27,29).
What are the key properties of N-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 390.41 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-cyano-5-[[2-(1-cyanoethylamino)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121271970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).