[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate

C19H26N4O4 — CID 122684604

IUPAC[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
SMILESCNC(=O)[C@H](CC1CC1)NC(=O)Oc1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C19H26N4O4/c1-20-17(24)14(8-11-2-3-11)22-19(25)27-15-9-21-16(13-6-7-13)18(23-15)26-10-12-4-5-12/h9,11-14H,2-8,10H2,1H3,(H,20,24)(H,22,25)/t14-/m0/s1
InChIKeyOUPIGBBPJBGWMM-AWEZNQCLSA-N
MW374.44 g/mol
LogP2.15
Rot. Bonds9

About [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate

[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 122684604) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
PubChem CID122684604
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
SMILESCNC(=O)[C@H](CC1CC1)NC(=O)Oc1cnc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C19H26N4O4/c1-20-17(24)14(8-11-2-3-11)22-19(25)27-15-9-21-16(13-6-7-13)18(23-15)26-10-12-4-5-12/h9,11-14H,2-8,10H2,1H3,(H,20,24)(H,22,25)/t14-/m0/s1
InChIKeyOUPIGBBPJBGWMM-AWEZNQCLSA-N
XLogP2.15
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate (CID 122684604) is [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate is CNC(=O)[C@H](CC1CC1)NC(=O)Oc1cnc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is OUPIGBBPJBGWMM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-20-17(24)14(8-11-2-3-11)22-19(25)27-15-9-21-16(13-6-7-13)18(23-15)26-10-12-4-5-12/h9,11-14H,2-8,10H2,1H3,(H,20,24)(H,22,25)/t14-/m0/s1.
What are the key properties of [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate?
[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 374.44 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 122684604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).